1-Bromo-2,3-difluorobenzene

Base Information

• Chemical Name: 1-Bromo-2,3-difluorobenzene
• CAS No.: 38573-88-5
• Molecular Formula: C6H3BrF2
• Molecular Weight: 192.991
• Hs Code.: 29039990
• DSSTox Substance ID: DTXSID30369814
• Nikkaji Number: J953.702C
• Wikidata: Q72454297
• Mol file: 38573-88-5.mol

Synonyms:1-Bromo-2,3-difluorobenzene;38573-88-5;2,3-Difluorobromobenzene;2,3-DIFLUOROBRMOROBENZENE;MFCD00061136;1-bromo-2,3-difluoro-benzene;3-bromo-1,2-difluorobenzene;difluorobromobenzene;2,3-Diflurobromobenzene;2,3-Difluorophenyl bromide;2,3-Difluoro Bromo Benzene;2,3-difluoro-1-bromobenzene;SCHEMBL361070;DTXSID30369814;RKWWASUTWAFKHA-UHFFFAOYSA-N;BCP01293;BBL102612;STL556415;1-Bromo-2,3-difluorobenzene, 98%;AKOS005258547;CS-W002283;GS-3218;(4-Amino-2,3-difluorophenyl)aceticacid;PD159954;SY027494;AM20060136;B1800;FT-0609619;EN300-121005;J-504385;Z1203161750;InChI=1/C6H3BrF2/c7-4-2-1-3-5(8)6(4)9/h1-3

Chemical Property of 1-Bromo-2,3-difluorobenzene

Chemical Property:

• Appearance/Colour: Clear colorless to peach liquid
• Vapor Pressure: 3.43mmHg at 25°C
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 158.3 °C at 760 mmHg
• Flash Point: 49.5 °C
• PSA: 0.00000
• Density: 1.692 g/cm³
• LogP: 2.72730
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.93862
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

>98% ^*data from raw suppliers

1-Bromo-2,3-difluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)F)F
• Uses: 1-Bromo-2,3-difluorobenzene may be used in the synthesis of potent, orally active Calcitonin gene-related peptide (CGRP) receptor antagonist (BMS-846372). It may be used in the preparation of 2,3-difluorophenyl(dimethyl)phosphane. intermediate for liquid crystal and drugs

Technology Process of 1-Bromo-2,3-difluorobenzene

There total 6 articles about 1-Bromo-2,3-difluorobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

1,2-difluoro-3-methyl-benzene (3828-49-7) → 1-bromo-2,3-difluorobenzene (38573-88-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In dichloromethane; at 0 - 40 ℃; Large scale;

Reference yield: 88.0%

3,4-dibromo-1,1,2,2-tetrafluorocyclohexane → 1-bromo-2,3-difluorobenzene (38573-88-5)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium hydroxide; In water; at 20 - 85 ℃; for 3.5h;

DOI:10.1007/s11172-021-3168-5

Reference yield: 88.0%

1-bromo-5,5,6,6-tetrafluorocyclohex-1-ene → 1-bromo-2,3-difluorobenzene (38573-88-5)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium hydroxide; In water; at 30 - 85 ℃; for 2.5h; regioselective reaction;

DOI:10.1007/s11172-021-3168-5

upstream raw materials:

1,2-difluoro-3-methyl-benzene

1,1,2,2-tetrafluoro-3-vinylcyclobutane

3,3,4,4-tetrafluorocyclohexene

Downstream raw materials:

4-(2,3-difluoro-phenyl)-1H-indole

2-(((1r,4r)-4-(((2,3-difluorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid

2,3-difluorophenyl(phenyl)carbamic chloride

1,4-dibromo-2,3-difluoro-benzene

Refernces

• 1、 Egorov, M. P.,Lipkind, M. B.,Nefedov, O. M.,Volchkov, N. V.. "Three-step regioselective synthesis of 2,3-difluorohalobenzenes using tetrafluoroethylene and buta-1,3-diene as starting building blocks". . p. 925 - 932. Retrieved 2021/06/07.