[ CAS No. 637-96-7 ] {[proInfo.proName]}

Name: 637-96-7|2-(Methylamino)acetic acid hydrochloride|95%
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Quality Control of [ 637-96-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 637-96-7 ]

SDS Specification

Alternatived Products of [ 637-96-7 ]

Product Details of [ 637-96-7 ]

CAS No. :	637-96-7	MDL No. :	MFCD00012609
Formula :	C₃H₈ClNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WVKIFIROCHIWAY-UHFFFAOYSA-N
M.W :	125.55	Pubchem ID :	69483
Synonyms :	2-(Methylamino)acetic acid hydrochloride

Calculated chemistry of [ 637-96-7 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	28.07
TPSA :	49.33 Å²

Pharmacokinetics

GI absorption :	High
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) :	-8.47 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-1.98
Log Po/w (WLOGP) :	0.09
Log Po/w (MLOGP) :	-2.61
Log Po/w (SILICOS-IT) :	-0.8
Consensus Log Po/w :	-1.06

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.76
Solubility :	724.0 mg/ml ; 5.77 mol/l
Class :	Highly soluble
Log S (Ali) :	1.47
Solubility :	3680.0 mg/ml ; 29.3 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.0
Solubility :	126.0 mg/ml ; 1.0 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 637-96-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 637-96-7 ]

* 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.

Downstream synthetic route of [ 637-96-7 ]

[ 637-96-7 ] Synthesis Path-Downstream 1~23

1
[ 637-96-7 ]
[ 68-12-2 ]
C₁₁H₂₄N₄⁽²⁺⁾*2ClO₄^(1-) [ No CAS ]

Reference： [1]Collection of Czechoslovak Chemical Communications,1973,vol. 38,p. 2633 - 2640

2
[ 64-17-5 ]
[ 637-96-7 ]
[(Z)-3-Dimethylamino-2-(2-nitro-phenyl)-allylidene]-dimethyl-ammonium; perchlorate [ No CAS ]
[ 139984-67-1 ]

Reference： [1]Bulletin de la Societe Chimique de France,1996,vol. 133,p. 251 - 266

3
[ 28920-43-6 ]
[ 637-96-7 ]
[ 77128-70-2 ]

Reference： [1]Chemistry - A European Journal,1998,vol. 4,p. 425 - 433

4
[ 637-96-7 ]
[ 443361-05-5 ]
(3aRS,9bSR)-1,5-dimethyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-4-one [ No CAS ]
(3aRS,9bRS)-1,5-dimethyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-4-one [ No CAS ]

Reference： [1]Tetrahedron Letters,2002,vol. 43,p. 1171 - 1174

5
[ 637-96-7 ]
[ 443360-97-2 ]
<i>N</i>-(4-bromo-2-formyl-phenyl)-3-dimethylamino-propionamide [ No CAS ]

Reference： [1]Tetrahedron Letters,2002,vol. 43,p. 1171 - 1174

6
[ 637-96-7 ]
[ 172965-73-0 ]
C₆₇H₆₉N₉O₁₄ [ No CAS ]

Reference： [1]Chemical and pharmaceutical bulletin,2002,vol. 50,p. 771 - 780

7
[ 340020-96-4 ]
[ 637-96-7 ]
[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-methyl-amino}-acetic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Example 19[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-methyl-amino}-acetic acid [00210] To a stirred mixture of 0.100 g (0.257 mmol) of 4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid (Example 13), 0.039 g (0.257 mmol) of <strong>[637-96-7]sarcosine hydrochloride</strong>, 0.143 ml (1.03 mmol) of NEt3, and 2 ml anhydrous acetonitrile was added 0.103 g (0.270 mmol) of HATU. The reaction solution was stirred at rt for 16 h. The reaction mixture was concentrated in vacuo and combined with 10 ml EtOAc and 10 ml of 10% citric acid. The aqueous layer was separated and washed twice with 10-ml portions of EtOAc. The combined organic fractions were washed with 10-ml portions of sat'd NaHCO3 and brine and conc'd in vacuo.The resultant solid was dissolved in a mixture of 5 ml of MeOH and 5 ml of 1 N NaOH and stirred for 16 h. The reaction solution was conc'd in vacuo, taken up in 10 ml of water, and washed twice with 10-ml portions of CH2Cl2. The aqueous layer was acidified with conc'd HCl and the resultant precipitate collected by suction filtration to give 0.094 g (77% yield) of an off-white solid. (MH+=460.18)

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 7119 - 7131
[2]Patent: US6649600,2003,B1 .Location in patent: Page/Page column 28

8
[ 159747-91-8 ]
[ 637-96-7 ]
[ 159748-25-1 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In methanol; water; N,N-dimethyl-formamide;	EXAMPLE 37 1-[1-Oxo-2-[5-[2-(2H-tetrazol-5-yl]phenyl]-1H-benzimidazol-1]octyl]-N-methylglycine Sarcosine hydrochloride (1.23 mmoles, 190 mg) was dissolved in DMF. Diisopropylethylamine (1.23 mmoles, 0.215 ml) was added. The solution was treated with 1.23 mmoles of 2-[5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl]octanoic acid, hydroxybenzotriazole and dicyclohexylcarbodiimide as in Example 13. The resulting ester was hydrolyzed with 5.0 ml methanol and 5.0 ml 1 N NaOH for 2 hours. The solvents were removed. water was added. The solution was washed with ether. The pH was adjusted to 4.0 using 2 N HCl. The precipitate was filtered and dried to yield 1-[1-oxo-2-[5-[2-(2H-tetrazol-5-yl]phenyl]-1H-benzimidazol-1-yl]octyl]-N-methylglycine. (MS)
	With N-ethyl-N,N-diisopropylamine; In methanol; water; N,N-dimethyl-formamide;	EXAMPLE 37 1-[1-Oxo-2-[5-[2-(2H-tetrazol-5-yl]phenyl]-1H-benzimidazol-1-yl]octyl]-N-methylglycine Sarcosine hydrochloride (1.23 mmoles, 190 mg) was dissolved in DMF. Diisopropylethylamine (1.23 moles, 0.215 ml) was added. The solution was treated with 1.23 mmoles of 2-[5-[2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl]octanoic acid, hydroxybenzotriazole and dicyclohexylcarbodiimide as in Example 13. The resulting ester was hydrolyzed with 5.0 ml methanol and 5.0 ml 1N NaOH for 2 hours. The solvents were removed. Water was added. The solution was washed with ether. The pH was adjusted to 4.0 using 2N HCl. The precipitate was filtered and dried to yield 1-[1-oxo-2-[5-[2-(2H-tetrazol-5-yl]phenyl]-1H-benzimidazol-1-yl]octyl]-N-methylglycine. Calculated for C24 H30 N7 O3: C, 61.91; H, 6.19; N, 20,22. Found: C, 61.98; H, 6.05, N, 19.72.

Reference： [1]Patent: US5612360,1997,A
[2]Patent: US5556981,1996,A

9
[ 5773-80-8 ]
[ 13515-93-0 ]
[ 637-96-7 ]
[ 2592-95-2 ]
N-[(6-bromo-2-naphthalenyl)carbonyl]-N-methylglycine methyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethylmorpholine;; In pyridine; N-methyl-acetamide; thionyl chloride; water; ethyl acetate; N,N-dimethyl-formamide;	A suspension of 6-bromo-2-naphthalenecarboxylic acid (5.37 g, 21.4 mmoles, a starting material of formula II) in thionyl chloride (54 ml) containing 5 drops of dimethylformamide (DMF) was refluxed for 30 min. The mixture was evaporated to dryness under reduced pressure. The residue was dissolved in dry pyridine (54 ml). <strong>[637-96-7]N-Methylglycine hydrochloride</strong> (2.8 g, 20.2 mmoles), a starting material of formula III, was added to the solution. The resulting mixture was stirred at 20-22 C. for 2 hr and then refluxed for 3 hr. The mixture was evaporated to dryness. The residue was dissolved in ethyl acetate (600 ml) and water (100 ml). After shaking the mixture and separating the two layers, the aqueous layer was extracted with more ethyl acetate. The combined organic extracts were washed with 2 N aqueous HCl, brine and water, dried (MgSO4) and evaporated to dryness. The residue (5.6 g) was crystallized from ethanol to give 3.4 g of the title compound; mp 103-105 C.; NMR (CDCl3) delta 2.75 (s, 3H), 3.08 (s, 3H), 4.25 (s, 2H), 7.30-8.20 (m, 6H); IR (CHCl3) 1738, 1630, 1580 cm-1; UVlambdamax (EtOH) 280 nm (epsilon6,980), 273 (6,720), 232 (64,740); Anal Calcd: C, 53.59% H, 4.20% N, 4.17%; Found: C, 53.41% H, 4.29% N, 4.27%. Procedure B for preparing the title compound A stirred mixture of the starting material of formula II, 6-bromo-2-naphthalenecarboxylic acid (12.8 g, 52 mmoles), and 1-hydroxybenzotrizole (HOBt, 7.0 g, 52 mmoles) in DMF (200 ml) was cooled to 0 C. N,N-dichlohexylcarbodiimide (DCC, 10.6 g, 52 mmoles) in DMF (30 ml) was added to the mixture. The resulting mixture was stirred at 0 C. for 30 min and at 20 C. for 1 hr and then cooled again to 0 C. N-Methylglycine methyl ester hydrochloride (7.25 g, 52 mmoles), followed by N-ethylmorpholine (6.7 ml, 52 mmoles), were added to the cooled mixture. The mixture was stirred for 30 min at 0 C. and then for 18 hr at 20 C. Thereafter, the mixture was filtered and concentrated to dryness under reduced pressure. The residue was subjected to chromatography on 325 g of silica gel using ethyl acetate-hexane (1:1) as the eluant. The pure fractions were pooled to yield 10.5 g of product which was recrystallized from ethyl acetate to give the title compound, identical to the product of procedure A of this example.

Reference： [1]Patent: US4447452,1984,A

10
acetone-toluene [ No CAS ]
[ 16726-66-2 ]
[ 637-96-7 ]
[ 88061-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydrogencarbonate; In pyridine; N-methyl-acetamide; thionyl chloride; water; triethylamine; benzene;	EXAMPLE 2 N-[(3-Bromo-1-naphthalenyl)carbonyl]-N-methylglycine Methyl Ester (IV, R1 =CH3, R2 =H, R3 =3-Br, n=O and R4 =CH3) Procedure A A solution of the starting material of formula II, 3-bromo-1-naphthalenecarboxylic acid [12.0 g, 47.8 mmoles, described by H. G. Rule and S. B. Thompson, J. Chem. Soc., 1764 (1937)], in thionyl chloride (120 ml) was refluxed for 5 min and then cooled in an ice bath. Dimethylformamide (DMF, 5 drops) was added to the mixture. The mixture was refluxed for 15 min. The resulting solution was evaporated to dryness under reduced pressure. The residue was dissolved in benzene and the solution was taken to dryness under reduced pressure. The residue (11.4 g) was suspended in pyridine (100 ml). <strong>[637-96-7]N-Methylglycine hydrochloride</strong> (5.6 g, 40.3 mmoles) in triethylamine (5.6 ml, 40.3 mmoles), a starting material of formula III, was added to the suspension. The resulting mixture was stirred at 20-22 C. for 20 min and then poured into water (500 ml). The aqueous mixture was extracted with chloroform. The extract was washed with 2 N aqueous HCl, a saturated solution of NaHCO3 and water, dried (MgSO4) and evaporated to dryness. The residue (13 g) was subjected to chromatography on silica gel (300 g) using acetone-toluene (1:4) as eluant. Evaporation of the pooled fractions gave 10 g of the title compound as an oil; NMR (CDCl3) delta 2.80 and 3.20 (2s, 3H), 3.6 and 3.8 (2s, 3H), 4.35 (m, 2H), 7.1-8.0 (m, 6H); IR(CHCl3) 1730, 1620 cm-1.

Reference： [1]Patent: US4391816,1983,A

11
[ 67-66-3 ]
[ 1203-67-4 ]
[ 637-96-7 ]
methyl N-(1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-yl)glycine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
16.6 parts (24.8%)	With sodium acetate;palladium; In methanol; water;	(a) A mixture of 48 parts of 1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-one, 65 parts of methyl glycine hydrochloride, 65 parts of sodium acetate and 560 parts of methanol was hydrogenated at normal pressure and at room temperature with 5 parts of palladium-on-charcoal catalyst 10%. After the calculated amount of hydrogen was taken up, the catalyst was filtered off and the filtrate was evaporated. The residue was taken up in a mixture of water and trichloromethane. The whole was acidified with a hydrochloric acid solution. The separated aqueous layer was made alkaline and the product was extracted with trichloromethane. The combined organic layers were dried, filtered and evaporated, yielding 16.6 parts (24.8%) of methyl N-(1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-yl)glycine as a residue (int. 1).

Reference： [1]Patent: US4830664,1989,A

12
[ 67-66-3 ]
[ 4832-16-0 ]
[ 637-96-7 ]
[ 118582-70-0 ]

Yield	Reaction Conditions	Operation in experiment
82.2 parts (91.1%)	With sodium hydroxide; potassium acetate;palladium; In thiophene; methanol; water;	(a) A mixture of 64 parts of octahydro-1(2H)-naphthalenone, 50 parts of methyl glycine hydrochloride, 2 parts of a solution of thiophene in methanol 4%, 560 parts of methanol and 50 parts of potassium acetate was hydrogenated at normal pressure and at room temperature with 5 parts of palladium-on-charcoal catalyst 10%. After the calculated amount of hydrogen was taken up, the catalyst was filtered off and the filtrate was evaporated. The residue was taken up in a mixture of water and trichloromethane. The whole was treated with a sodium hydroxide solution. The separated organic layer was dried, filtered and evaporated, yielding 82.2 parts (91.1%) of methyl N-(decahydro-1-naphthalenyl)glycine as a residue (intermediate 1).

Reference： [1]Patent: US4824472,1989,A

13
[ 6684-39-5 ]
[ 637-96-7 ]
[(6-chloro-pyridine-3-sulfonyl)-methyl-amino]-acetic acid tert-butyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
3.97 g (51%)	With pyridine; In chloroform;	To a solution of 6-chloro-pyridine-3-sulfonylchloride (5.15 g, 24.3 mmol) in 50 mL of anhydrous chloroform, 7.4 mL of pyridine and 8.82 g (48.6 mmol, 2 eq) of <strong>[637-96-7]sarcosine hydrochloride</strong> were added and the reaction proceeded overnight at room temperature. The solvent was removed in vacuo, diluted with water, neutralized with sodium bicarbonate and extracted with ethyl acetate which was then washed with brine, dried over MgSO4, directly preadsorbed onto silica gel and purified via flash chromatography using 5:1 Hex:EtOAc to afford 3.97 g (51%) of [(6-chloro-pyridine-3-sulfonyl)-methyl-amino]-acetic acid tert-butyl ester. Electrospray Mass Spec 321.1 (M+H)+

Reference： [1]Patent: US6225311,2001,B1

14
[ 1220972-78-0 ]
[ 637-96-7 ]
[ 1220972-79-1 ]

Yield	Reaction Conditions	Operation in experiment
100%	With sodium triacetoxy borohydride; acetic acid; N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; at 20℃;	To a stirred solution of the product of Step B (0.09 g, 0.26 mmol) and <strong>[637-96-7]sarcosine hydrochloride</strong> (0.07 g, 0.5 mmol) in 1 ,2-dichloroethane (5 ml) was added DIPEA (0.1 ml) and 10 drops of AcOH, followed by NaBH(OAc)3 (0.1 1 g, 0.51 mmol). The mixture was stirred overnight at room temperature and diluted to 20 ml with CH2CI2. The organic layer was washed with NaHCO3 solution, H2O and dried over MgSO4 and filtered. The filtrate was evaporated to dryness and the residue was purified by FCC (SiO2, hexane/EtOAc) to give the title compound (0.1 13 g, 100%) as creamy paste. 1H- NMR (CDCI3) 7.47 (d, 2H, J = 8.19 Hz); 7.28 (d, 2H, J = 8.18 Hz); 7.10 (d, 1 H, J = 3.62 Hz); 6.88 - 6.85 (m, 3H); 6.85 - 6.77 (m, 2H); 4.44 (s, 2H); 4.07 - 3.98 (m, 1 H); 3.69 (s, 3H); 3.24 (s, 2H); 2.37 (s, 3H); 1 .21 (d, 6H, J = 6.6 Hz).

Reference： [1]Patent: WO2010/43000,2010,A1 .Location in patent: Page/Page column 70

15
[ 637-96-7 ]
[ 34893-92-0 ]
[ 27387-90-2 ]

Yield	Reaction Conditions	Operation in experiment
90%		[00177] Triethylamine (0.78 kg, 7.75 mol) was added inl 5-30 minutes with stirring to a thin suspension of sarcosine ethylene hydrochloride (1.00 kg, 6.51 mol) in dichloromethane (6.00 L). After stirring at room temperature for 1.5-2 hours, the mixture was filtered to remove the resulting triethylamine hydrochloride salt. The salt cake was washed with dichloromethane (2.00 L). The filtrate was cooled to 0-5C. [00178] A solution of 3,5-dichlorophenyl isocyanate (1.47 kg, 7.81 mol) in dichloromethane was prepared at 20-25C. The solution was added to the above cooled filtrate slowly in 30-60 minutes. The temperature was maintained below 100C during the addition. After the addition, the mixture was stirred at 20-25C for 12-14 hours. The completeness of the reaction was followed by HPLC. Upon reaction completion, TBME (16.00 L) was added in one portion. The resulting suspension was stirred at 20-25C for 2-3 hours and was then filtered. The filter cake was washed with TBME (4.50 L) and dried at maximum 40C to a constant weight. A suspension of the above filter cake in water (17.0 L, 10 L/kg input) was prepared and stirred at 20-250C for at least 16 hours. The suspension was filtered and the filter cake was washed with water (3 x 1.36 L) and dried at maximum 400C to a constant weight. 3- (3,5-dichlorophenyl)-l-methylimidazolidine-2, 4-dione (1.52 kg, 90%) was obtained as a white crystalline solid. mp=202-204C. 1H NMR (DMSO-d6): 7.66 (IH, m), 7.51 (2H, m), 4.10 (2H, s), 3.35 (3H, s). 13C NMR (DMSO-d6): 8 Carbons (169.30, 155.00, EPO <DP n="66"/>134.98, 134.15, 127.59, 125.30, 51.75, 29.79). Anal. Calcd for C10H8Cl2N2O2 : C, 46.35; H5 3.11; N, 10.81; Cl, 27.36. Found: C, 46.43; H, 2.92; N, 10.73; Cl, 27.33.

Reference： [1]Patent: WO2006/65908,2006,A1 .Location in patent: Page/Page column 63; 64

16
[ 14783-10-9 ]
[ 637-96-7 ]
silver nitrate [ No CAS ]
[Pd(1,10-phenanthroline)(methylglycine)](NO₃) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%		General procedure: These complexes were synthesized by converting [Pd(phen)Cl2]complex (made according to the reported method [20]) into a diaquacomplex by silver nitrate method: 0.375 g of [Pd(bpy)Cl2](1 mmol) was suspended in 90 ml of double distilled water/acetone(3/1, v/v). To this suspension, 0.339 g of AgNO3 (2 mmol)in 20 ml water was added slowly with continuous stirring. The reaction mixture was heated with stirring at 50 C for 2 h and atthe room temperature for 16 h under dark. Then, the mixturewas filtered to remove AgCl. This filtrate was mixed with synthesizedglycine hydrochloride (1 mmol) and NaHCO3 (0.168 g,2 mmol) dissolved in 9 ml distilled water. The reaction mixturewas further stirred at 45 C for 2 h. Then, light yellow solutionwas filtrated and concentrated at 35 C to 15 ml. The trace amountof turbidity formed was filtered and the clear yellow filtrate wasfurther concentrated to about 5 ml at 35 C (very fine needle crystalsof the complex not suitable for X-ray crystallography wereobtained by slow evaporation of this solution). The yellow crystalsformed were filtered and washed with small amount of chilleddouble distilled water and then dried in a vacuum oven.

Reference： [1]Inorganica Chimica Acta,2015,vol. 430,p. 144 - 160

17
[ 79-11-8 ]
[ 74-89-5 ]
[ 637-96-7 ]

Yield	Reaction Conditions	Operation in experiment
63%		General procedure: Sodium bicarbonate, NaHCO3, (8.41 g, 100 mmol) was slowlyadded with continuous stirring to a solution of chloroacetic acid(9.45 g, 100 mmol) in distilled water (30 ml). A solution of eachamine (100 mmol) in distilled water (5 ml) was added dropwisewith constant stirring to the solution obtained in the previous step.After half an hour, NaHCO3 (8.41 g, 100 mmol) was added againand stirred with a magnetic stirrer. Then, this solution was acidifiedwith HCl to pH 2 and slowly evaporated at 35 C until crystalsappeared and left aside for 24 h. Recrystallization was carried outby dissolving the filtered crystals in the minimum amount of distilledwater, acidifying to pH 2, and slow evaporation. The purecrystal obtained was filtered and dried in a vacuum oven at 35 C.

Reference： [1]Inorganica Chimica Acta,2015,vol. 430,p. 144 - 160

18
[Pt(phen)(H₂O)₂](NO₃)₂ [ No CAS ]
[ 637-96-7 ]
[Pt(1,10-phenanthroline)(N-methylglycinate)]NO₃ [ No CAS ]

Reference： [1]Chemical Biology and Drug Design,2016,p. 76 - 87

19
[ 637-96-7 ]
[ 76-83-5 ]
[ 10065-71-1 ]

Yield	Reaction Conditions	Operation in experiment
83%	With triethylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 19h;Inert atmosphere;	To a solution of <strong>[637-96-7]methylglycinate hydrochloride</strong> (1.26 g,10.0 mmol) in N,N-dimethylformamide (DMF) (20 mL) wereadded Et3N (3.50 mL, 25.1 mmol) and chlorotriphenylmethane(2.90 g, 10.4 mmol) at 0C. After stirring the resulting whitesuspension at room temperature for 19 h, the reaction wasadded H2O, extracted with EtOAc-hexane (2 : 1), dried overNa2SO4, evaporated in vacuo and purified by silica gel columnchromatography (hexane-EtOAc=4 : 1) to afford 1s (2.74 g,83%) as a white solid. 1H-NMR (300 MHz, CDCl3) delta: 3.21(s, 2H), 3.65 (s, 3H), 7.23-7.26 (m, 3H), 7.32-7.35 (m, 6H),7.53-7.55 (m, 6H); 13C-NMR (75.0 MHz, CDCl3) delta: 45.7, 51.7,70.7, 126.5, 127.9, 128.6, 145.3, 172.6 cm-1; IR (neat) 706, 1491,1742, 3330 cm-1; HR-MS (ESI+) m/z Calcd for C22H21NO2([M+Na] +) 354.1465. Found 354.1470.

Reference： [1]Chemical and Pharmaceutical Bulletin,2017,vol. 65,p. 573 - 581

20
[ 104389-67-5 ]
[ 637-96-7 ]
ClAuC(NHxylyl)(sarcosine) [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 15875 - 15887

21
[ 37131-32-1 ]
[ 637-96-7 ]
ClAuC(NH<SUP>t</SUP>Bu)(sarcosine) [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 15875 - 15887

22
Pt(NH₂CH₃)2(H₂O)2⁽²⁺⁾*2NO₃^(1-)=[Pt(NH₂CH₃)2(H₂O)2][NO₃]2 [ No CAS ]
[ 637-96-7 ]
cis-[Pt(NH₂-CH₃)₂(methylglycine)]NO₃ [ No CAS ]

Reference： [1]Applied Biochemistry and Biotechnology,2018,vol. 186,p. 271 - 291

23
[ 637-96-7 ]
[ 3939-13-7 ]
N-(3-cyanopyridin-2-yl)-N-methylglycine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In ethanol; at 80℃;	To a stirred solution of <strong>[3939-13-7]2-fluoronicotinonitrile</strong> (4g, 32.7mmol) in ethanol were added triethyl amine (16.51g, 163.5mmol) and sarcosine ethyl ester hydrochloride (7.5g, 49.1mmol), then it was stirred at 80C for overnight. The reaction mixture was evaporated to give crude product of the title compound as an off-white solid (1.89g, 87.9%). Crude as such was taken for next step.

Reference： [1]Bioorganic Chemistry,2020,vol. 99

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Sodium 2-(methylamino)acetate

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[ 5835-28-9 ]

2-((2-Hydroxyethyl)amino)acetic acid

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2,2'-Azanediyldiacetic acid

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
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
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
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. 637-96-7 ] {[proInfo.proName]}

Quality Control of [ 637-96-7 ]

Related Doc. of [ 637-96-7 ]

Product Details of [ 637-96-7 ]

Calculated chemistry of [ 637-96-7 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 637-96-7 ]

Application In Synthesis of [ 637-96-7 ]

[ 637-96-7 ] Synthesis Path-Downstream 1~23

Related Functional Groups of [ 637-96-7 ]

Amino Acid Derivatives

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 637-96-7 ]