3-Bromophenylacetic acid

Base Information

Chemical Name:3-Bromophenylacetic acid
CAS No.:1878-67-7
Molecular Formula:C8H7BrO2
Molecular Weight:215.046
Hs Code.:29163900
European Community (EC) Number:217-522-1
DSSTox Substance ID:DTXSID0075152
Nikkaji Number:J199.693B
Wikidata:Q63409368
ChEMBL ID:CHEMBL139276
Mol file:1878-67-7.mol

Synonyms:3-Bromophenylacetic acid;1878-67-7;2-(3-bromophenyl)acetic acid;(3-Bromophenyl)acetic acid;M-BROMOPHENYLACETIC ACID;Benzeneacetic acid, 3-bromo-;MFCD00004330;EINECS 217-522-1;3-bromophenylaceticacid;3-Bromobenzeneacetic acid;3-bromo-phenylacetic acid;3-bromophenyl acetic acid;meta-bromophenylacetic acid;3-bromo-phenyl acetic acid;3-bromo-phenyl-acetic acid;(3-bromo-phenyl)acetic acid;(3-bromophenyl) acetic acid;SCHEMBL78652;CHEMBL139276;2-(3-bromophenyl) acetic acid;3-Bromophenylacetic acid, 98%;DTXSID0075152;KYNNBXCGXUOREX-UHFFFAOYSA-;2-(3-Bromo-phenyl)-acetic acid;AKOS000142259;AB00359;AC-3364;AM62273;CS-W004766;PS-4772;AC-16343;SY004367;B1927;FT-0615238;EN300-59283;A21774;AE-562/43460499;W-107765;Q63409368;F0001-0674;Z285131530

Suppliers and Price of 3-Bromophenylacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3-Bromophenylacetic Acid
25g
$ 460.00

TRC
3-Bromophenylacetic acid
5 g
$ 80.00

TCI Chemical
3-Bromophenylacetic Acid >95.0%(GC)(T)
25g
$ 213.00

TCI Chemical
3-Bromophenylacetic Acid >95.0%(GC)(T)
5g
$ 72.00

SynQuest Laboratories
3-Bromophenylacetic acid 98%
100 g
$ 72.00

SynQuest Laboratories
3-Bromophenylacetic acid 98%
25 g
$ 23.00

Sigma-Aldrich
3-Bromophenylacetic acid 98%
1g
$ 26.90

Sigma-Aldrich
3-Bromophenylacetic acid 98%
25g
$ 34.30

Sigma-Aldrich
3-Bromophenylacetic acid 98%
5g
$ 86.10

Medical Isotopes, Inc.
3-Bromophenylacetic acid
250 g
$ 2200.00

Total 111 raw suppliers

Chemical Property of 3-Bromophenylacetic acid

Chemical Property:

Appearance/Colour:white crystalline powder or needles
Vapor Pressure:9.03E-05mmHg at 25°C
Melting Point:98-102 °C(lit.)
Refractive Index:1.592
Boiling Point:326 °C at 760 mmHg
PKA:4.12±0.10(Predicted)
Flash Point:151 °C
PSA：37.30000
Density:1.616 g/cm³
LogP:2.07620
Storage Temp.:Store below +30°C.
Solubility.:DMSO, Methanol
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:213.96294
Heavy Atom Count:11
Complexity:147

Purity/Quality:

99% ^*data from raw suppliers

3-Bromophenylacetic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Br)CC(=O)O
Uses 3-Bromophenylacetic Acid is a halo substituted phenylacetic acid with anti oxidative properties. 3-Bromophenylacetic Acid has been shown to inhibit penicillin biosynthetic enzymes. 3-Bromophenylacetic acid was used in the preparation of 3-bromophenylacetaldehyde by di-isobutyl aluminum hydride (DIBAL) reduction.

Technology Process of 3-Bromophenylacetic acid

There total 21 articles about 3-Bromophenylacetic acid 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: 92.3%

: 2142-63-4
1-(3-Bromophenyl)ethanone

: 1878-67-7
3-Bromophenylacetic acid

Guidance literature:: 1-(3-Bromophenyl)ethanone; With 4-methyl-morpholine; sulfur; for 14h; Reflux;

With sulfuric acid; acetic acid; In water; at 20 - 30 ℃; for 6h; Reflux;

Reference yield: 88.0%

: 124-38-9,18923-20-1
carbon dioxide

: 306773-37-5
(3-bromobenzylidene)hydrazine

: 1878-67-7
3-Bromophenylacetic acid

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; caesium carbonate; cesium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 24h; under 760.051 Torr; chemoselective reaction;
DOI:10.1039/c8sc01299g

Reference yield: 79.0%

: 201230-82-2
carbon monoxide

: 932-77-4
3-bromobenzyl chloride

: 1878-67-7
3-Bromophenylacetic acid

Guidance literature:: carbon monoxide; With C₂₈H₂₂CoN₄O₆; In butan-1-ol; at 60 ℃; for 2h; under 760.051 Torr; Glovebox; High pressure; Green chemistry;

3-bromobenzyl chloride; With tetra-(n-butyl)ammonium iodide; sodium hydroxide; In butan-1-ol; at 60 ℃; for 22h; under 760.051 Torr; regioselective reaction; Glovebox; High pressure; Green chemistry;
DOI:10.1016/j.tet.2013.06.083