58573-93-6|4-Bromo-4'-heptyl-1,1'-biphenyl| Ambeed

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Quality Control of [ 58573-93-6 ] Purity: 97% SDS Specification

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Product Details of [ 58573-93-6 ]

CAS No. :	58573-93-6
Formula :	C₁₉H₂₃Br
M.W :	331.29
SMILES Code :	CCCCCCCC1=CC=C(C2=CC=C(Br)C=C2)C=C1
MDL No. :	MFCD00060107
InChI Key :	RJQRJLCQHIMUQO-UHFFFAOYSA-N
Pubchem ID :	618710

Safety of [ 58573-93-6 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 58573-93-6 ]

* 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 [ 58573-93-6 ]

[ 58573-93-6 ] Synthesis Path-Downstream 1~29

1
[ 65782-77-6 ]
[ 58573-93-6 ]

References: [1]Roczniki Chemii,1977,vol. 51,p. 2023 - 2027.

2
[ 58573-93-6 ]
[ 126163-54-0 ]
[ 121218-85-7 ]

References: [1]Journal of the Chemical Society. Perkin transactions II,1989,p. 2041 - 2054.

3
[ 58573-93-6 ]
[ 126334-35-8 ]
[ 126334-39-2 ]

References: [1]Journal of the Chemical Society. Perkin transactions II,1989,p. 2041 - 2054.

4
[ 58573-93-6 ]
[ 121219-21-4 ]
[ 126334-30-3 ]

References: [1]Journal of the Chemical Society. Perkin transactions II,1989,p. 2041 - 2054.

5
[ 2591-86-8 ]
[ 58573-93-6 ]
[ 93972-08-8 ]

References: [1]Synlett,1997,p. 624 - 626.

7
[ 58573-93-6 ]
C₁₆H₂₄BF₃O₃ [ No CAS ]
5-decyloxy-2,3,4-trifluoro-4''-heptyl-[1,1';4',1'']terphenyl [ No CAS ]

References: [1]Journal of Materials Chemistry,2001,vol. 11,p. 2732 - 2742.

8
[ 58573-93-6 ]
[ 501366-56-9 ]
2-(4-N,N-dimethylamino-phenyl)-5-(4'-heptyl-biphenyl-4-yl)-thiazole [ No CAS ]

References: [1]Journal of the American Chemical Society,2003,vol. 125,p. 1700 - 1701.

9
[ 58573-93-6 ]
4'-heptylbiphenyl-4-boronic acid [ No CAS ]

References: [1]Tetrahedron,2003,vol. 59,p. 4377 - 4381.

10
[ 4767-65-1 ]
[ 58573-93-6 ]
C₅₆H₅₆O₄ [ No CAS ]

References: [1]New Journal of Chemistry,2007,vol. 31,p. 543 - 548.

11
[ 58573-93-6 ]
3-(4'-heptyl-biphenyl-4-yl)-cyclohex-2-enone [ No CAS ]

References: [1]Tetrahedron,2003,vol. 59,p. 4377 - 4381.

12
[ 58573-93-6 ]
[ 142247-06-1 ]

References: [1]Synlett,1997,p. 624 - 626.

13
[ 58573-93-6 ]
[ 166399-92-4 ]

References: [1]Synlett,1997,p. 624 - 626.

14
[ 58573-93-6 ]
(R)-3-(4'-Heptyl-biphenyl-4-ylmethyl)-5-hexyl-5H-furan-2-one [ No CAS ]

References: [1]Synlett,1997,p. 624 - 626.

15
[ 58573-93-6 ]
[ 218904-33-7 ]

References: [1]Synlett,1997,p. 624 - 626.

16
[ 58573-93-6 ]
[ 218904-15-5 ]

References: [1]Synlett,1997,p. 624 - 626.

17
[ 58573-93-6 ]
[ 218904-04-2 ]

References: [1]Synlett,1997,p. 624 - 626.

18
[ 58573-93-6 ]
(3R,5R)-3-(4'-Heptyl-biphenyl-4-ylmethyl)-5-hexyl-dihydro-furan-2-one [ No CAS ]

References: [1]Synlett,1997,p. 624 - 626.

19
[ 58573-93-6 ]
(3S,5R)-3-(4'-Heptyl-biphenyl-4-ylmethyl)-5-hexyl-dihydro-furan-2-one [ No CAS ]

References: [1]Synlett,1997,p. 624 - 626.

20
[ 58573-93-6 ]
4-bromo-2-methyl-2H-pyrazol-3-ylamine [ No CAS ]
(4-bromo-2-methyl-2H-pyrazol-3-yl)-(4'-heptyl-biphenyl-4-yl)-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
28.4%	With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 80℃; for 48h;	Example 1.18; Preparation of (4-Bromo-2-methyl-2H-pyrazol-3-yl)-(4'-heptyl-biphenyl-4-yl)-amine (Compound 12).A 20-mL scintillation vial was charged with 4'-bromo-4-heptyl-biphenyl (331.2 mg, 1 mmol), 3-amino-4-bromo-2-methyl pyrazole (176.0 mg, 1 mmol), sodium fert-butoxide (134.5 mg, 1.4 mmol), tris(dibenzylideneacetone)dipalladium(0) (45.8 mg, 0.05 mmol), BESfAP (62.3 mg, 0.1 mmol) and toluene (2 mL) under nitrogen atmosphere. The reaction mixture was heated at 8O0C for 48 hours. It was then allowed to cool to room temperature, taken up in ether/ethyl acetate, filtered and concentrated. The crude material was subjected to column chromatography on silica gel (Biotage, eluent hexanes/ethyl acetate 70/30) to afford Compound 12 as a yellow solid. Yield: 121.3 mg (28.4 %). LCMS m/z (%) = 384 (M+H 79Br, 100), 386 (M+H 81Br, 97).

References: [1]Patent: WO2006/60762,2006,A2 .Location in patent: Page/Page column 72.

21
[ 58573-93-6 ]
[ 63619-66-9 ]
(R)-4-(1-methylhexyl)oxy-3-fluoro-4"-heptyl-p-terphenyl [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.7 g (62.1%)		Except that 3.9 g of 4-heptyl-4'-bromobiphenyl was used in place of 4.3 g of 4-octyloxy-4'-bromobiphenyl used in Example 12 (d), the operation was performed in the same manner as in Example 12 to obtain 1.7 g (62.1%) of (R)-4-(1-methylhexyl)oxy-3-fluoro-4"-heptyl-p-terphenyl. The purity of this product was at least 99% by HPLC.

References: [1]Patent: US5382380,1995,A .

22
[ 58573-93-6 ]
[ 126334-36-9 ]
[ 121218-85-7 ]

References: [1]Tetrahedron Letters,2008,vol. 49,p. 1445 - 1449.

23
[ 58573-93-6 ]
[ 121219-16-7 ]
4-heptyl-2'',3''-difluoro-1,1':4',1''-terphenyl [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83.55%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,2-dimethoxyethane; at 120℃; for 2h;Inert atmosphere; Reflux;	General procedure: 1,2-dimethoxyethene (150 ml) and sodium carbonate (2 M, 150 ml) were added to diflouroboronic acid (4.79 g, 30.33 mmol, 158 g/mol) and 4-bromo-4′′pentylbiphenyl (7.07 g, 23.33 mmol, 303 g/mol) under dry nitrogen with continuous stirring. Tetrakis (triphenylphosphine) palladium (0) (0.1348 g, 0.11 mmol, 1156 g/mol) was added. The stirred mixture was heated under reflux (ca. 120 C) for 2 h (i.e., until g. L .c/ t. l. c. analysis revealed a complete reaction). Reaction mixture was cooled to room temperature and 100 ml water was added. The product was extracted into 200 ml ether (twice) and the combined ethereal extracts were washed with brine and dried (MgSO4), the most of it filtered off by pressure. The solvent was removed in vacuo. The dry product was purified by addition to a packed chromatography column of silica gel [silica gel, Hexane] to yield white product. Product was re-crystallised through ethanol. It was put in the desiccators overnight. Yield (6.47 g, 82.53%).M.P. 97.5 C (from EtOH). Elemental analysis: (Found: C, 82.40; H, 6.74 . Calc. for C23H22F2: C, 82.11; H, 6.59%);m/z 336 (M+), 292, 279 (100%),165, 151; transitions / C K 95.8 (25.79 J/g) SmA 108.8 (18.98 J/g) I;IR (KBr) υmax/c- 1 2927 (CH), 1473, 1398, 1264, 1216, 1100, 897, 817, 785, 721; δH(400 MHz;CDCl3) 0.80 (3H,t,J 7,CH3CH2), 1.19-.27 (8H, m), 1.57 (2H, quint, J7.7, ArCH2CH2), 2.57 (2H, t, J7.9, ArCH2), 7.02 (1H, ddd, J 6.8, 6.6, 1.5, 20H), 7.16 (1H, ddd, J 6.8, 6.4, 1.6, 19H),7.47 (2H,d,J 8.1), 7.52 (2H, dd, J 8.2, 1.5), 7.59 (2H, d, J8.2),;(δF(376; CDCl3)) - 143.30 (1F, dd, JF,F20.81, JF,H6.9), - 143.88 (1F, dd, JF,F18.5, JF,H6.9);δC(100.5;CDCl3) 14.10, 22.68, 29.20, 29.34, 31.50, 31.82, 35.64, 116.0 (d, J 16.9), 124.08 (dd, JC,F 5.4, 4.6), 125.20 (dd, JC,F 3.8, 1.5), 126.93, 127.11, 128.92, 129.27 (d JC,F 3.1), 130.83, 131.00, 133.26 (d, JC,F 4.6), 137.75, 141.00, 142.51

References: [1]Journal of Molecular Liquids,2012,vol. 175,p. 72 - 84.
[2]Journal of Materials Chemistry,2010,vol. 20,p. 299 - 307.
[3]Journal of Molecular Liquids,2012,vol. 170,p. 11 - 19.

24
[ 58573-93-6 ]
4-heptyl-2'',3''-difluoro-1,1':4',1''-terphenyl-4''-carboxylic acid [ No CAS ]

References: [1]Journal of Molecular Liquids,2012,vol. 170,p. 11 - 19.
[2]Journal of Molecular Liquids,2012,vol. 175,p. 72 - 84.

25
[ 58573-93-6 ]
4-heptyl-2'',3''-difluoro-1,1':4',1''-terphenyl-4''-carbonyl chloride [ No CAS ]

References: [1]Journal of Molecular Liquids,2012,vol. 170,p. 11 - 19.
[2]Journal of Molecular Liquids,2012,vol. 175,p. 72 - 84.

26
[ 58573-93-6 ]
C₂₉H₃₁F₂NO₃ [ No CAS ]

References: [1]Journal of Molecular Liquids,2012,vol. 170,p. 11 - 19.
[2]Journal of Molecular Liquids,2012,vol. 175,p. 72 - 84.

27
[ 58573-93-6 ]
C₂₉H₂₉F₂NO₂ [ No CAS ]

References: [1]Journal of Molecular Liquids,2012,vol. 170,p. 11 - 19.

28
3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-3-ol [ No CAS ]
[ 58573-93-6 ]
6,8-bis(4'-heptylbiphenyl-4-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-3-ol [ No CAS ]

References: [1]Organic and Biomolecular Chemistry,2015,vol. 13,p. 8505 - 8511.

29
[ 58573-93-6 ]
[ 98-80-6 ]
[ 5195-13-1 ]

References: [1]Chemistry - A European Journal,2017,vol. 23,p. 8921 - 8931.

Historical Records

Technical Information

• Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Friedel-Crafts Reaction • Hydrogenolysis of Benzyl Ether • Preparation of Alkylbenzene • Reactions of Benzene and Substituted Benzenes • Vilsmeier-Haack Reaction

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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.
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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.
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H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 58573-93-6

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CAS No.: 58573-93-6

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Product Details of [ 58573-93-6 ]

Safety of [ 58573-93-6 ]

Application In Synthesis of [ 58573-93-6 ]

[ 58573-93-6 ] Synthesis Path-Downstream 1~29

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