[ CAS No. 36791-04-5 ] {[proInfo.proName]}

Name: 36791-04-5|1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-1,2,4-triazole-3-carboxamide|98%
Brand: Ambeed
SKU: A111785
Price: 5.0 USD
Availability: InStock
Rating: 94 (25 reviews)

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Cat. No.: {[proInfo.prAm]}

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Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
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Quality Control of [ 36791-04-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 36791-04-5 ]

SDS Specification

Alternatived Products of [ 36791-04-5 ]

Product Details of [ 36791-04-5 ]

CAS No. :	36791-04-5	MDL No. :
Formula :	C₈H₁₂N₄O₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IWUCXVSUMQZMFG-AFCXAGJDSA-N
M.W :	244.20	Pubchem ID :	37542
Synonyms :	Ribasphere;NSC 163039;Ribavirin, Copegus, Rebetol, Virazole, ICN-1229;Tribavirin;RTCA;ICN-1229

Calculated chemistry of [ 36791-04-5 ]

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.62
Num. rotatable bonds :	3
Num. H-bond acceptors :	7.0
Num. H-bond donors :	4.0
Molar Refractivity :	51.06
TPSA :	143.72 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.35
Log Po/w (XLOGP3) :	-1.85
Log Po/w (WLOGP) :	-3.34
Log Po/w (MLOGP) :	-2.94
Log Po/w (SILICOS-IT) :	-2.9
Consensus Log Po/w :	-2.14

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.21
Solubility :	151.0 mg/ml ; 0.619 mol/l
Class :	Very soluble
Log S (Ali) :	-0.65
Solubility :	54.7 mg/ml ; 0.224 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.76
Solubility :	14000.0 mg/ml ; 57.3 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.89

Safety of [ 36791-04-5 ]

Signal Word:	Danger	Class:	N/A
Precautionary Statements:	P201-P202-P280-P312-P405-P501	UN#:	N/A
Hazard Statements:	H302-H341-H360	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 36791-04-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 36791-04-5 ]
Downstream synthetic route of [ 36791-04-5 ]

[ 36791-04-5 ] Synthesis Path-Upstream 1~1

1
[ 36791-04-5 ]
[ 3641-08-5 ]

Reference： [1] Antimicrobial Agents and Chemotherapy, 2004, vol. 48, # 10, p. 4006 - 4008

[ 36791-04-5 ] Synthesis Path-Downstream 1~88

1
[ 33763-06-3 ]
[ 3641-08-5 ]
[ 1006-08-2 ]
[ 36791-04-5 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 4692 - 4695

2
[ 108-24-7 ]
[ 76-83-5 ]
[ 36791-04-5 ]
[ 114283-58-8 ]

Reference： [1]Carbohydrate Research,1987,vol. 165,p. 267 - 274

3
[ 108-24-7 ]
[ 36791-04-5 ]
[ 40372-03-0 ]

Yield	Reaction Conditions	Operation in experiment
100%	With pyridine; at 20℃; for 22h;	Synthesis of 2? 3? 5?-O-triacetyl-(3-D-ribothranosyl)-1 ,2,4-triazole-3-carboxamide 8 A suspension of <strong>[36791-04-5]ribavirin</strong> 1 (568 mg, 2.33 mmol) in aceticanhydride (4 mE) and pyridine (1 mE) was stirred at roomtemperature for 22 hours. The mixture was concentratedunder reduced pressure and the residue was dried under highvacuum to afford the product in quantitative yield.
100%	With pyridine; at 20℃;	A suspension of 1-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxamide (<strong>[36791-04-5]Ribavirin</strong>) (28.4 g, 116.4 mmol) (5) in acetic anhydride (200 mL) and pyridine (50 mL) was stirred at room temperature overnight. The resulting clear solution was concentrated in vacuo to yield a clear foam (43.1 g, quantitive). This foam was homogenous on TLC and used directly for the next step without purification. A small amount was purified by flash chromatography to yield an analytical sample; 1H NMR (300 MHz), DMSO-d6) delta 2.01, 2.08, 2.09 (3s, 9H, COCH3), 4.10 (m, 1H), 3.52 (m, 2H), 5.58 (t, 1H), 5.66 (in, 1H); 6.33 (d, 1H, J.=3.0 Hz, C1H), 7.73, 7.92, (2 s, 2H, CONH2), 8.86 (s, 1H, C5H triazole). Anal. (C10H18N4O8) C, H, N.

Reference： [1]Patent: US9149538,2015,B2 .Location in patent: Page/Page column 35; 36; 37
[2]Patent: US2005/159372,2005,A1 .Location in patent: Page/Page column 4
[3]Journal of Medicinal Chemistry,1989,vol. 32,p. 1447 - 1449

4
[ 22164-16-5 ]
[ 3641-08-5 ]
[ 578-76-7 ]
[ 36791-04-5 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 4692 - 4695

5
[ 22164-16-5 ]
[ 3641-08-5 ]
[ 36791-04-5 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 4692 - 4695

6
[ 314-50-1 ]
[ 3641-08-5 ]
[ 36791-04-5 ]

Reference： [1]Agricultural and Biological Chemistry,1988,vol. 52,p. 1499 - 1504

7
[ 88734-03-6 ]
[ 36791-04-5 ]

Reference： [1]Gazzetta Chimica Italiana,1991,vol. 121,p. 297 - 300

8
[ 3641-08-5 ]
[ 81100-62-1 ]
[ 578-76-7 ]
[ 36791-04-5 ]

Reference： [1]Journal of Organic Chemistry,1989,vol. 54,p. 4692 - 4695

9
[ 3641-08-5 ]
[ 99790-49-5 ]
[ 36791-04-5 ]

Reference： [1]Agricultural and Biological Chemistry,1986,vol. 50,p. 121 - 126
[2]Agricultural and Biological Chemistry,1986,vol. 50,p. 121 - 126
[3]Agricultural and Biological Chemistry,1986,vol. 50,p. 121 - 126

10
[ 18162-48-6 ]
[ 36791-04-5 ]
1-[5-(<i>tert</i>-butyl-dimethyl-silanyloxymethyl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-1<i>H</i>-[1,2,4]triazole-3-carboxylic acid amide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

11
[ 36791-04-5 ]
1-(5-O-thiophosphoryl-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

12
[ 36791-04-5 ]
[ 594860-49-8 ]

Yield	Reaction Conditions	Operation in experiment
56.5%	With pyridine; iodine; triphenylphosphine; at 20℃; for 12h;	solution of PPh3 (17.48 g, 66.6 mmol) and I2 (15.61 g, 61.5 mmol) in pyridine (100 mL) was stirred at R.T. for 20 min and then compound 14-1 (10.0 g, 41.0 mmol) was added. The reaction mixture was stirred at R.T. for 12 hours, concentrated to dryness, and co-evaporated with toluene twice. The crude product was purified on a silica gel column (DCM/MeOH=20:1 to 7.5:1) to afford compound 14-2 (8.21 g, 56.5%).

Reference： [1]Patent: US9346848,2016,B2 .Location in patent: Page/Page column 125; 126
[2]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337
[3]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

13
[ 4074-90-2 ]
[ 36791-04-5 ]
Hexanedioic acid (2R,3S,4R,5R)-5-(3-carbamoyl-[1,2,4]triazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester vinyl ester [ No CAS ]

Reference： [1]Chemical Communications,2007,p. 295 - 297
[2]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3769 - 3771

14
[ 6974-32-9 ]
[ 4928-88-5 ]
[ 39030-43-8 ]
[ 36791-04-5 ]

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 173 - 179

15
[ 36791-04-5 ]
1-[5-deoxy-5-(dihydroxyphosphinyl)-β-D-ribofuranosyl]-1,2,4-triazole-3-carboxamide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

16
[ 36791-04-5 ]
1-(5-O-hydrogenphosphonyl-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

17
[ 36791-04-5 ]
1-[5-O-(H-thiophosphonyl)-β-D-ribofuranosyl]-1,2,4-triazole-3-carboxamide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

18
[ 36791-04-5 ]
1-(5-O-fluorophosphoryl-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

19
[ 36791-04-5 ]
1-(5-deoxy-5-N-phosphonomethylamino-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

20
[ 36791-04-5 ]
[ 594860-52-3 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

21
[ 36791-04-5 ]
[ 594860-57-8 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

22
[ 36791-04-5 ]
C₂₂H₂₁N₄O₈P [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

23
[ 36791-04-5 ]
C₂₂H₂₁N₄O₈PS [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

24
[ 36791-04-5 ]
C₂₂H₂₁N₄O₉P [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

25
[ 36791-04-5 ]
C₂₂H₂₀FN₄O₉P [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

26
[ 36791-04-5 ]
[ 594860-54-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

27
[ 36791-04-5 ]
C₂₂H₂₁N₄O₁₀P [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

28
[ 36791-04-5 ]
C₂₅H₂₉N₄O₈PSi [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

29
[ 36791-04-5 ]
C₂₆H₂₉N₄O₁₀P [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

30
[ 36791-04-5 ]
C₂₈H₂₅N₄O₉P [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

31
[ 36791-04-5 ]
C₃₆H₃₁N₄O₈PS [ No CAS ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337

32
[ 36791-04-5 ]
[ 139621-03-7 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337
[2]Helvetica Chimica Acta,1997,vol. 80,p. 1053 - 1060

33
[ 36791-04-5 ]
[ 108311-14-4 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337
[2]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

34
[ 36791-04-5 ]
[ 108311-11-1 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 317 - 337
[2]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

35
[ 6974-32-9 ]
4-methylbenzimidazole N-trimethylsilyl derivative [ No CAS ]
[ 36791-04-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 715 - 724

36
[ 52783-53-6 ]
[ 36791-04-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 715 - 724

37
[ 5517-61-3 ]
[ 36791-04-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 715 - 724

38
[ 5517-60-2 ]
[ 36791-04-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 715 - 724

39
[ 4099-85-8 ]
[ 36791-04-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2004,vol. 23,p. 715 - 724

40
[ 36791-04-5 ]
C₁₃H₂₂N₅O₇P [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 2257 - 2260

41
[ 36791-04-5 ]
[ 63142-71-2 ]

Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 159 - 166
[2]Organic Letters,2004,vol. 6,p. 2257 - 2260

42
[ 36791-04-5 ]
5'-[1-(β-D-2',3'-O-methoxymethylidene-ribofuranosyl)-1,2,4-triazole-3-carboxamide] benzyl N-methyl-N-(4-chlorobutyl) phosphoramidate [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 2257 - 2260

43
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[ 727398-83-6 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 2257 - 2260

44
[ 36791-04-5 ]
[ 727399-04-4 ]

Reference： [1]Organic Letters,2004,vol. 6,p. 2257 - 2260

45
[ 36791-04-5 ]
[ 111379-76-1 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

46
[ 36791-04-5 ]
[ 647844-84-6 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

47
[ 36791-04-5 ]
[ 108311-10-0 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

48
[ 36791-04-5 ]
[ 647844-83-5 ]

Reference： [1]Nucleosides, nucleotides and nucleic acids,2003,vol. 22,p. 419 - 435

49
[ 36791-04-5 ]
[ 215653-83-1 ]

Reference： [1]Nucleosides and Nucleotides,1998,vol. 17,p. 2003 - 2009

50
[ 36791-04-5 ]
Diisopropyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(3-carbamoyl-[1,2,4]triazol-1-yl)-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester [ No CAS ]

Reference： [1]Nucleosides and Nucleotides,1998,vol. 17,p. 2003 - 2009

51
[ 36791-04-5 ]
C₄₇H₆₄N₈O₈P₂ [ No CAS ]

Reference： [1]Nucleosides and Nucleotides,1998,vol. 17,p. 2003 - 2009

52
[ 36791-04-5 ]
[ 190141-30-1 ]

Reference： [1]Helvetica Chimica Acta,1997,vol. 80,p. 1053 - 1060

53
[ 36791-04-5 ]
[ 190141-29-8 ]

Reference： [1]Helvetica Chimica Acta,1997,vol. 80,p. 1053 - 1060

54
[ 36791-04-5 ]
Benzoic acid (2R,3R,4R,5R)-5-(3-carbamoyl-[1,2,4]triazol-1-yl)-4-[(2-chloro-phenyl)-[1,2,4]triazol-1-yl-phosphinoyloxy]-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl ester [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1997,vol. 80,p. 1053 - 1060

55
[ 36791-04-5 ]
Benzoic acid (2R,3R,4R,5R)-5-(3-carbamoyl-[1,2,4]triazol-1-yl)-4-{(2-chloro-phenyl)-[2-(4-nitro-phenyl)-ethoxy]-phosphinoyloxy}-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl ester [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1997,vol. 80,p. 1053 - 1060

56
[ 36791-04-5 ]
Benzoic acid (2R,3R,4R,5R)-5-(3-carbamoyl-[1,2,4]triazol-1-yl)-4-{hydroxy-[2-(4-nitro-phenyl)-ethoxy]-phosphoryloxy}-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl ester; compound with triethyl-amine [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1997,vol. 80,p. 1053 - 1060

57
[ 58-63-9 ]
[ 36791-04-5 ]

Reference： [1]Agricultural and Biological Chemistry,1986,vol. 50,p. 121 - 126
[2]Patent: CN107722090,2018,A

58
[ 36791-04-5 ]
[ 120362-25-6 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1447 - 1449
[2]Patent: US9149538,2015,B2

59
[ 36791-04-5 ]
[ 40372-00-7 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1447 - 1449
[2]Patent: US2005/159372,2005,A1

60
[ 36791-04-5 ]
[ 120362-26-7 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1447 - 1449

61
[ 36791-04-5 ]
[ 40371-99-1 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1447 - 1449
[2]Patent: US9149538,2015,B2
[3]Patent: US2005/159372,2005,A1

62
[ 120362-25-6 ]
[ 36791-04-5 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3231 - 3238

63
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Yield	Reaction Conditions	Operation in experiment
51.2%	With ammonium hydroxide; dihydrogen peroxide;platinum; In methanol;	(C) 1-(beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxamide (Method 3) A mixture of 3-cyano-1-(2,3,5 -tri-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazole (705 mg., 2.0 mmole), 28% aqueous ammonia (20 ml.) and 30% hydrogen peroxide (3.0 ml.) was stirred at 25 for 6 hrs. An additional 3.0 ml. portion of 30% hydrogen peroxide was then added and stirring at 25 was continued for 12 hrs. The excess hydrogen peroxide was destroyed by addition of platinum black, the solution was filtered, the filtrate was evaporated to dryness. The residue was dissolved in methanol and silic gel (5.0 g.) was added to the solution. The solvent was removed and the silica gel mixture was applied to a silica gel column. Elution with ethyl acetate-methanol (1:1) provided 1-(beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxamide (250 mg., 51.2%).

Reference： [1]Patent: US29835,1978,E1
[2]Journal of Medicinal Chemistry,1992,vol. 35,p. 3231 - 3238

64
[ 36791-04-5 ]
[ 114283-59-9 ]

Reference： [1]Carbohydrate Research,1987,vol. 165,p. 267 - 274

65
[ 36791-04-5 ]
[ 114283-61-3 ]

Reference： [1]Carbohydrate Research,1987,vol. 165,p. 267 - 274

66
[ 36791-04-5 ]
[ 114283-60-2 ]

Reference： [1]Carbohydrate Research,1987,vol. 165,p. 267 - 274

67
[ 36791-04-5 ]
[ 114283-62-4 ]

Reference： [1]Carbohydrate Research,1987,vol. 165,p. 267 - 274

68
[ 6974-32-9 ]
[ 36791-04-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 1234 - 1255

69
[ 79437-71-1 ]
[ 36791-04-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 2825 - 2833
[2]Chemische Berichte,1981,vol. 114,p. 2825 - 2833

70
[ 79437-74-4 ]
[ 36791-04-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 2825 - 2833
[2]Chemische Berichte,1981,vol. 114,p. 2825 - 2833

71
[ 79437-73-3 ]
[ 36791-04-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 2825 - 2833
[2]Chemische Berichte,1981,vol. 114,p. 2825 - 2833

72
[ 79437-72-2 ]
[ 36791-04-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 2825 - 2833
[2]Chemische Berichte,1981,vol. 114,p. 2825 - 2833

73
[ 53-84-9 ]
[ 36791-04-5 ]

Reference： [1]Gazzetta Chimica Italiana,1991,vol. 121,p. 297 - 300

74
[ 36791-04-5 ]
[ 120615-22-7 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 44 - 48

75
[ 36791-04-5 ]
[ 123124-31-2 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 44 - 48

76
[ 38934-69-9 ]
[ 36791-04-5 ]

Yield	Reaction Conditions	Operation in experiment
95%	With sodium methylate; diethylamine; In methanol; at 80℃; for 6h;	To the condensation product, 50 g of diethylamine, 10 g of sodium methoxide, and 300 ml of methanol were added and stirred at 80 C. for 6 hours. The reaction solvent was distilled under reduced pressure, 400 ml of methanol was added to the remaining solid, and heated to 65 C. until the solid dissolved. Cooled to room temperature, filtered and dried 73.8 g of the resulting solid in a yield of 95%. HPLC purity was 99.95%.
	With ammonia; In methanol; at 20℃; for 4h;	Synthesis of ribavirin (I); To the residue thus obtained, 1000 ml of methanol and 64 g of gaseous ammonia are added and the mixture left for 4 hours at 20C while stirring; there is precipitation of product in the course of the reaction. Distillation under reduced pressure (200 mmHg; internal T 40C) is carried out to about half volume and 200 ml of water are added; heating to 60-70C is carried out until dissolved and 400 ml of methanol are added. The mixture is cooled to 0-5C for 4 hours and the solid is filtered over a Buchner filter while washing with methanol; 300 g of moist raw Ribavirin are obtained and this is crystallised without desiccation.
107.52 g	With ammonia; In methanol; for 5h;Autoclave;	Add 191.05g to the autoclave(0.5 mol) of 1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester and 2000 ml Methanol, the reactor was kept at a pressure of 2 kg at room temperature, and the reaction was carried out for 5 hours.Then, excess ammonia gas is recovered, the solvent is removed under reduced pressure, and the residue is recrystallized from ethanol to obtain 107.52 g of ribavirin product.

With ammonia; In methanol; at 20℃; for 4h;

To the residue obtained, 1000 ml of methanol and 64.12g ammonia gas and the mixture was placed at 20 C for 4 h with stirring; The precipitation of the product occurs during the process of reflection. It was distilled to about half volume under reduced pressure (200 mmHg; internal temperature 40 C) and added to 200 ml of water; heated to 60-70 C until dissolved and 400 ml of methanol was added. The mixture was cooled to 0-5 C for 4 hours and the solid was filtered using a Buchner funnel. At the same time, it was washed with methanol; 302.22 g of a wet crude ribavirin was obtained, which was crystallized without drying.

Reference： [1]Patent: CN107722090,2018,A .Location in patent: Paragraph 0021; 0024; 0028
[2]Patent: EP1281715,2003,A1 .Location in patent: Page/Page column 6
[3]Patent: CN109134566,2019,A .Location in patent: Paragraph 0047; 0052; 0053
[4]Patent: CN109134565,2019,A .Location in patent: Paragraph 0052; 0059; 0060

77
methanolic ammonia [ No CAS ]
[ 206269-26-3 ]
[ 36791-04-5 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; water;	1-beta-Ribofuranosyl-1,2,4-triazole-3-carboamide (5): Methyl-1-(2,3,5-tri-O-acetyl-beta-L-ribofuranosyl)-1,2,4-triazole-3-carboxylate (62 g, 161 mmol) was placed in a steel bomb and treated with freshly prepared methanolic ammonia (350 ml, prepared by passing dry HCL gas into dry methanol at 0 C. until saturation) at 0 C. The steel bomb was closed and stirred at room temperature for 18 h. The steel bomb was then cooled to 0 C., opened and the content evaporated to dryness. The residue was treated with dry ethanol (100 ml) and evaporated to dryness. The residue obtained was triturated with acetone to give a solid, which was filtered and washed with acetone. The solid was dried overnight at room temperature and dissolved in a hot EtOH (600 ml) and water (10 ml) mixture. The volume of the EtOH solution was reduced to 150 ml by heating and stirring on a hot plate. The hot EtOH solution on cooling provided colorless crystals, which were filtered, washed with acetone and dried under vacuum. Further concentration of the filtrate gave additional material. The total yield was 35 g (89%).

Reference： [1]Patent: US6518253,2003,B1

78
[ 512-56-1 ]
[ 7440-44-0 ]
[ 36791-04-5 ]
[ 40925-28-8 ]

Yield	Reaction Conditions	Operation in experiment
	With trichlorophosphate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol; water;	A. Preparation of <strong>[36791-04-5]Ribavirin</strong> 5'-Monophosphate The manufacture and synthesis <strong>[36791-04-5]Ribavirin</strong> (ICN Pharmaceuticals, Costa Mesa Calif.) are described in U.S. Pat. No. 4,211,771, incorporated herein by reference. A dry 1 L ml 3-neck round bottom flask, equipped with a stir bar, gas inlet adapter, and thermometer, was charged with 50 g <strong>[36791-04-5]Ribavirin</strong> (0.204 moles), 500 ml trimethyl phosphate, and 0.367 ml de-ionized water (0.0204 moles). The mixture was cooled under nitrogen with an ice/water bath. When the temperature reached 10 C., 23.3 ml phosphorous oxychloride was added, the flask was removed from the ice bath, and the mixture was stirred under nitrogen. After 30 min., the flask was cooled in the ice/water bath. When the temperature reached 10 C., the mixture was poured into a 2 L beaker containing 1000 ml ice water. The pH was adjusted to pH=9.0 using 4 M LiOH and the mixture was stirred overnight. After final adjustment to pH 9, the white precipitate that has formed is filtered away using a 0.2 mm filter. The mixture was evaporated at 40 C. under reduced pressure to 1 L. The solution was added to 1 L hot ethanol dropwise. The white precipitate was collected on a 2 L glass fritted funnel, coarse grade, washing the solid with two 100 ml portions of ethanol, re-suspending the solid each time. The product was dried under vacuum overnight, yield: 89 g. The solid was dissolved in 200 ml de-ionized water, and 5 g activated carbon was added. The mixture was filtered through a 0.2 mm filter, washing the carbon with 50 ml de-ionized water. The filtered solution was added dropwise to 1200 ml hot ethanol The mixture was cooled to room temperature, and the precipitate was collected on the 2 L glass fritted funnel. The solid was washed with 2*100 ml ethanol in the funnel, and dried under vacuum. Yield: 66.6 g. The dried product was dissolved in 200 ml de-ionized water. Amberlite IR-120 H.C.P. resin (H+ form) was added until the pH of the mixture reached pH=2.18. The resin was filtered off using a 0.2 mm filter, and the final solution was lyophilized. Yield: 54.8 g (0.160 moles), 78.5%, <strong>[36791-04-5]Ribavirin</strong> 5'-monophosphate. Elemental analysis indicates the product contains 1 mole water/mol <strong>[36791-04-5]ribavirin</strong> 5'-monophosphate.

Reference： [1]Patent: US5981507,1999,A

79
[ 76-05-1 ]
[ 52663-90-8 ]
[ 36791-04-5 ]

Yield	Reaction Conditions	Operation in experiment
		1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide 150 mg of the beta anomer from example 3 was treated with 5 ml 80% aqueous trifluoroacetic acid for 10 min. The solution was then evaporated and the product was crystallized from EtOH to give 111 mg of product with mp 165-167. Anal. Calc for C8 H12 N4 05: C, 39.35; H, 4.95; N, 22.94. Found: C, 39.59; H, 4.82; N, 22.82

Reference： [1]Patent: US4138547,1979,A

80
[ 64-17-5 ]
[ 39925-12-7 ]
[ 36791-04-5 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;	(A) 1-(beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxamide (Method 1) A solution of 1-(2,3,5-tri-O-benzoyl-beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxylic acid methyl ester (16.0 g., 28.0 mmole) in methanol (300 ml., presaturated with anhydrous ammonia at 0) was kept in a sealed pressure flask at 25 for 3 days. The solvent was removed and the product was crystallized from ethanol to give 6.7 g. (98%) of material with M.P. 174-176. Recrystallization of the product from aqueous ethanol provided a second crystalline form of the nucleoside with M.P. 166-168. Analysis.--Calcd. for C8 H12 N4 O5 (percent): C, 39.34; H, 4.95; N, 22.94. Found (percent): C, 39.08, H, 5.10; N, 22.67.

Reference： [1]Patent: US29835,1978,E1

81
[ 57198-04-6 ]
[ 36791-04-5 ]

Yield	Reaction Conditions	Operation in experiment
99.71%	With ammonia; at 20℃; under 5250.53 Torr; for 20h;Autoclave; Green chemistry;	Into a 2L clean stainless steel high pressure autoclave equipped with thermometer, vacuum pressure gauge and mechanical stirrer, add 50 g ribavirin condensate (II). On the feed cover, vacuum to the limit. And then with a dual piston pump through the flowmeter pump 300 g of liquid ammonia into the autoclave. Turn off the feed valve and feed pump. Using warm water elevate temperature to 20 C. The reaction was maintained at this temperature and kept at a pressure of 0.7 MPa for 20 h. After the maintained temperature reaction is finished, the temperature slowly, through the special ammonia compressor will boil off the ammonia into the liquid ammonia, the ammonia in the reactor after all off, to stop vapor ammonia, to obtain white solid (I) 31.6g folds purely, yield 99.71% (of (II) in order to condensate), white RBV crude product (I) by detecting the purity of 99.8% ( unitary method HPLC chromatographic area),
97%	With ammonia; In methanol; at 0℃; for 2.5h;	Intermediate of ribavirin in a 500 mL four-necked flask equipped with mechanical stirring, thermometer and distillation unit[1-(2,3,5-Tri-O-acetyl-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester] 100.0 g with 100 mL of methanol Mix and stir to form a uniform slurry, and pass ammonia gas at low temperature (0 C) until the slurry becomes transparent.Continue to feed a sufficient amount of ammonia and then react at 0 C for 2.5 h.Stop the ammonia gas, let stand, precipitate the solid, filter out the solid, and obtain the product.Ribavirin. The yield of the aminolysis reaction was 97%.The total yield of the two-step reaction was 79.5%.
92.6%	With methanol; ammonia; at 10 - 20℃; for 18h;Autoclave;	In a 250 mL autoclave, 38.5 g of ribavirin condensate and 100 mL of methanol were added.Ammonia gas is introduced into the atmosphere at 5 atmospheres, and the temperature is maintained at 10-20C. After the completion of ammonia injection, the reaction is maintained for 18.0 hours.Then concentrate under reduced pressure to remove the solvent.Add methanol to dissolve, filter while hot, and place the filtrate in the refrigerator freezer overnight. Crystals precipitated, filtered, dried,22.4 g of ribavirin white crystals were obtained with a yield of 91.8%.The purity was 99.8% (HPLC).Same as Example 1. As a result, 22.4 g of ribavirin white crystals were obtained with a yield of 92.6% and a purity of99.9% (HPLC).

90.0%	In methanol;	(B) 1-(beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxamide (Method 2) A solution of 1-(2,3,5-tri-O-acetyl-beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxylic acid methyl ester (10.0 g., 26.0 mmole) in methanol (70 ml.) saturated at 0 with anhydrous ammonia was kept in a sealed pressure flask at 25 for 18 hrs. The product was crystallized from ethanol to give 1-(beta -D-ribofuranosyl)-1,2,4-triazole-3-carboxamide (5.70 g., 90.0%).
	With ammonia; In methanol; at 20℃;	General procedure: A mixture of 3a (0.5 g) and methanol saturated with ammonia (15 mL) was stirred at room temperature for 5-6 h. The progress of the reaction was monitored by TLC (silicagel as solid phase, methanol: chloroform 1:4 as mobile phase). When the reaction was complete, the solvent was removed by distillation under reduced pressure and the residual solid was recrystallized from dichloromethane to give 0.29 g (87.1%) of 4a asa white solid with purity of 99.1% (HPLC). The procedure for the preparation of 4b was similar to 4a. 4b was obtained as a white solid with purity of 99.2% (HPLC). The physical data for compounds 3 and 4 were shown in Table 3.

Reference： [1]Patent: CN105732750,2016,A .Location in patent: Paragraph 0022; 0023; 0024
[2]Patent: CN109336937,2019,A .Location in patent: Paragraph 0038; 0040; 0044; 0046; 0047; 0049; 0050; 0052
[3]Patent: CN104910215,2018,B .Location in patent: Paragraph 0050; 0055; 0058
[4]Patent: US29835,1978,E1
[5]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 2748 - 2755
[6]Organic Preparations and Procedures International,2012,vol. 44,p. 387 - 391
[7]Patent: EP1281715,2003,A1
[8]Patent: CN109134565,2019,A
[9]Organic Preparations and Procedures International,2018,vol. 50,p. 592 - 596

82
methanolic ammonia [ No CAS ]
[ 57198-04-6 ]
[ 36791-04-5 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; water;	1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide (5) Methyl-1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazole-3-carboxylate (62 g, 161 mmol) (3) was placed in a steel bomb and treated with freshly prepared methanolic ammonia (350 mL, prepared by passing dry ammonia gas into dry methanol at 0 C. until saturation) at 0 C. The steel bomb was closed and stirred at room temperature for 18 h. The steel bomb was cooled to 0 C., opened and the content evaporated to dryness. The residue was treated with dry EtOH (100 mL) and evaporated to dryness. The residue obtained was triturated with acetone to give a solid, which was filtered and washed with acetone. The solid was dried overnight at room temperature and dissolved in hot EtOH (600 mL) and water (10 mL) mixture. The volume of the EtOH solution was reduced to 150 mL by heating and stirring on a hot plate. The hot EtOH solution on cooling provided colorless crystals, which was filtered, washed with acetone and dried under vacuum. Further concentration of the filtrate gave additional material. Total yield: 35 g (89%); mp 177-179 C.; [alpha]20D-35.3 (c, 10, H2O); 1H NMR (Me2SO-d6): delta3.46 (m, 1H, C5'H), 3.60 (m, 1H, C5'H), 3.94 (m, 1H), C4'H), 4.12 (m, 1H) 4.34 (m, 1H), 4.95 (t, 1H, C5'OH), 5.22 (d, 1H), 5.60 (d, 1H), 5.80 (d, 1H, J=3.9 Hz, C1'H), 7.64 (bs, 1H, NH2), 7.84 (bs, 1H, NH2), 8.87 (s, 1H, C5H). 13C NMR (Me2SO-d6) delta61.8, 70.2, 74.4, 86.0, 91.6, 144.9, 157.4, 160.6. Anal. (C8H12N4O5) C, H, N.

Reference： [1]Patent: US2004/14696,2004,A1

83
[ 69304-37-6 ]
[ 36791-04-5 ]
[ 140891-04-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With pyridine; at 20℃; for 23.5h;	Synthesis of 3,5-O-(1 , 1 ,3,3-tetraisopropyl-1 ,3-disi- loxanyl)-<strong>[36791-04-5]ribavirin</strong> 2 <strong>[36791-04-5]Ribavirin</strong> 1 (203.4 mg, 0.83 mmol) was mixed with pyridine (3.0 mE) at room temperature, and then 1 ,3-dichloro-1, 1,3,3-tetraisopropyldisiloxane (0.33 mE, 1.00 mmol) was added. The resulting mixture was stirred at room temperature for 23.5 hours. Water was added to quench the reaction and extracted with EtOAc (3x20 mE). The combined organic 25 solution was washed with brine (50 mE), dried over sodium sulfate, concentrated. The residue was purified by flash column chromatography on silica gel using MeOH/DCM (0-5%) to afford the product (369 mg, 91%). ?H-NMR (CDC13) 88.36 (s, 1H, C5H), 6.90 (bs, 1H, NH2), 5.90 (s, 1H, 30 C1H), 5.58 (bs, 1H, NH2), 4.66-4.61 (m, 1H), 4.45 (d, 1H), 4.17-3.97 (m, 3H), 2.93 (s, 1H), 1.00-0.98 (m, 28H). LC-Ms:487.3 MH.20

Reference： [1]Nucleosides, nucleotides and nucleic acids,2007,vol. 26,p. 743 - 746
[2]Patent: US9149538,2015,B2 .Location in patent: Page/Page column 28; 29

84
[ 108321-99-9 ]
[ 3641-08-5 ]
[ 36791-04-5 ]

Reference： [1]Tetrahedron Letters,2008,vol. 49,p. 2642 - 2645

85
[ 75992-73-3 ]
[ 36791-04-5 ]
[(dimethylsulfoxide-S)chloroplatinum(II)(N(4),N(7)-1-β-D-ribofuranosyl-1,2,4-triazole-3-carboxamidate)] [ No CAS ]

Reference： [1]Polyhedron,2002,vol. 21,p. 2001 - 2007

86
[ 526191-47-9 ]
[ 36791-04-5 ]
(1-D-ribose-1H-[1,2,4]triazole-3-carboxamide)(N₁,N₁,N₄,N₄,N₇,N₇-pentamethyldiethileneriamine)platinum(II) [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2006,p. 3197 - 3203

87
[ 1042939-52-5 ]
[ 36791-04-5 ]
[ 1042939-67-2 ]

Yield	Reaction Conditions	Operation in experiment
87.0%		84.0 mg (0.34 mmol) of lyophilized solid (Intermediate 5) were dissolved in 5.0 ml of distilled water. Thereafter 82.7 mg of <strong>[36791-04-5]ribavirin</strong>e (0.34 mmol) were added under slow stirring. The mixture was kept overnight at 4 C under slow stirring. After addition of 40.0 mg of sodium borohydride the reaction mixture was kept at room temperature under stirring during 1 hour. The mixture was then passed on a Dowex 50 (H+) column to convert the excess of sodium borohydride into boric acid. The elute was lyophilized. The lyophilized was then dissolved in a small aliquot of methanol and the filtrate was brought to dryness. This operation was repeated at least three times. The dried powder was then dissolved with a small aliquot of water and then lyophilized to yield the <n="41"/>final Compound 10. 140.62 mg of Compound 10 (M. W. 475.4) were collected (Yield: 87.0 %).The collected Compound was positive to resorcinol-HCI and TBA reactions. The FT-IR spectrum (A) of Compound10, drawn in Figure 4, compared to that (B) of the starting intermediate <strong>[36791-04-5]ribavirin</strong>e, shows the following references: a) amide I band: 1640 cm"1; b) amide II band: 1550 cm"1; c) primary amino groups: 600-800 cm"1, 1590-650 cm"1, 3330-3380 cm"1; secondary amino groups: 700-800 cm" 1J 1615 cm"1; 3300 cm"1.

Reference： [1]Patent: WO2008/90151,2008,A1 .Location in patent: Page/Page column 39-40

88
C₁₀H₁₅NO₈ [ No CAS ]
[ 36791-04-5 ]
C₁₈H₂₇N₅O₁₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89.0%		94.26 mg (0.34 mmol) of lyophilized solid (Intermediate 6) were dissolved in 5.0 ml of distilled water. Thereafter 82.7 mg of <strong>[36791-04-5]ribavirin</strong>e (0.34 mmol) were added under slow stirring. The mixture was kept overnight at 4 C under slow stirring. After addition of 40.0 mg of sodium borohydride the reaction mixture was kept during 1 hour under stirring and at room temperature. The mixture was then passed on a column Dowex 50 (H+) resin to convert the excess of sodium borohydride into boric acid. The elute was lyophilized. The lyophilized was then recovered with a small aliquot of methanol and the elute was brought again to <n="36"/>dryness. This operation was repeated at least three times. The dried solid was finally dissolved with a small aliquot of water and then lyophilized to yield a solid (Compound 2). 94.02 mg of solid Compound 2 (M. W. 505.4) were collected (Yield: 89.0 %). The collected Compound 2 was positive both to resorcinol-HCI andTBA reactions.

Reference： [1]Patent: WO2008/90151,2008,A1 .Location in patent: Page/Page column 13-14; 34-35

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[ 36791-04-5 ]

A1269514[ 1646818-35-0 ]

Ribavirin-13C5

Reason: Stable Isotope

Ghs Precautionary Statements

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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
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H221	Flammable gas
H222	Extremely flammable aerosol
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H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 36791-04-5 ] {[proInfo.proName]}

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[ 36791-04-5 ] Synthesis Path-Upstream 1~1

[ 36791-04-5 ] Synthesis Path-Downstream 1~88

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