4-Bromo-2-ethylbenzoic acid

Base Information

Chemical Name:4-Bromo-2-ethylbenzoic acid
CAS No.:644984-78-1
Molecular Formula:C9H9 Br O2
Molecular Weight:229.073
Hs Code.:
European Community (EC) Number:841-504-8
DSSTox Substance ID:DTXSID40443114
Wikidata:Q82260823
Mol file:644984-78-1.mol

Synonyms:4-Bromo-2-ethylbenzoic acid;644984-78-1;4-bromo-2-ethyl-benzoic Acid;Benzoic acid, 4-bromo-2-ethyl- (9CI);4-Bromo-2-ethylbenzoicacid;SCHEMBL257249;DTXSID40443114;QICLFMFOLSIPOD-UHFFFAOYSA-N;MFCD18410376;AKOS026674325;AS-19878;CS-0194762;FT-0766811;D95188;EN300-112083

Suppliers and Price of 4-Bromo-2-ethylbenzoic 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

TRC
4-Bromo-2-ethylbenzoicAcid
10mg
$ 45.00

Crysdot
4-Bromo-2-ethylbenzoicacid 95+%
1g
$ 474.00

Crysdot
4-Bromo-2-ethylbenzoicacid 95+%
5g
$ 1895.00

AOBChem
4-Bromo-2-ethylbenzoicacid 97%
25g
$ 1563.00

Alichem
4-Bromo-2-ethylbenzoicacid
250mg
$ 499.20

AK Scientific
4-Bromo-2-ethylbenzoicacid
5g
$ 601.00

AHH
4-bromo-2-ethylbenzoicacid 97%
5g
$ 1500.00

Total 11 raw suppliers

Chemical Property of 4-Bromo-2-ethylbenzoic acid

Chemical Property:

PSA：37.30000
LogP:2.70970
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:227.97859
Heavy Atom Count:12
Complexity:170

Purity/Quality:

95+% ^*data from raw suppliers

4-Bromo-2-ethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C=CC(=C1)Br)C(=O)O

Technology Process of 4-Bromo-2-ethylbenzoic acid

There total 4 articles about 4-Bromo-2-ethylbenzoic 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: 67.0%

: 68837-59-2
4-bromo-2-methylbenzoic acid

: 74-88-4
methyl iodide

: 644984-78-1
4-bromo-2-ethylbenzoic acid

Guidance literature:: With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

Reference yield: 59.0%

: 925-90-6
ethylmagnesium bromide

: 112704-79-7
2-fluoro-4-bromobenzoic acid

: 644984-78-1
4-bromo-2-ethylbenzoic acid

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield:

: 586-76-5
4-Bromobenzoic acid

: 38227-87-1
2,2,6,6-tetramethylpiperidinyl-lithium

: 74-88-4
methyl iodide

: 68837-59-2
4-bromo-2-methylbenzoic acid

: 644984-78-1
4-bromo-2-ethylbenzoic acid

: 3-(2,2,6,6-tetramethylpiperidino)benzoic acid

: 4-(2,2,6,6-tetramethylpiperidino)benzoic acid

Guidance literature:: 4-Bromobenzoic acid; 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; at -78 ℃; for 4h;

methyl iodide; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1021/jo0483365