2-Bromo-2-(4-methoxyphenyl)acetic acid

Base Information

• Chemical Name: 2-Bromo-2-(4-methoxyphenyl)acetic acid
• CAS No.: 17478-44-3
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• NSC Number: 132001
• DSSTox Substance ID: DTXSID80299677
• Mol file: 17478-44-3.mol

Synonyms:2-bromo-2-(4-methoxyphenyl)acetic acid;17478-44-3;Benzeneacetic acid, alpha-bromo-4-methoxy-;2-BROMO-4/'-METHOXYPHENYL ACETIC ACID;NSC132001;SCHEMBL983848;DTXSID80299677;2-bromo-2-(4-methoxyphenyl)aceticacid;NSC-132001;F52417;2-Bromo-2-(4-methoxyphenyl)acetic acid, AldrichCPR

Chemical Property of 2-Bromo-2-(4-methoxyphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 4.17E-05mmHg at 25°C
• Boiling Point: 337.2°Cat760mmHg
• Flash Point: 157.7°C
• PSA: 46.53000
• Density: 1.583g/cm³
• LogP: 2.21580
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C(=O)O)Br

Technology Process of 2-Bromo-2-(4-methoxyphenyl)acetic acid

There total 2 articles about 2-Bromo-2-(4-methoxyphenyl)acetic 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: 78.0%

4-Methoxyphenylacetic acid (104-01-8) → α-bromo-4-methoxyphenylacetic acid (17478-44-3)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 80 ℃;

DOI:10.1021/acs.orglett.5b00840

Reference yield:

4-Methoxyphenylacetic acid (104-01-8) → 2-bromo-2-(4-fluorophenyl)acetic acid (29270-33-5) + α-bromo-4-methoxyphenylacetic acid (17478-44-3)

Guidance literature:

Reference yield: 90.0%

(2R,4R)-pentanediol (42075-32-1) + α-bromo-4-methoxyphenylacetic acid (17478-44-3) → (2S,4R)-4-hydroxypentan-2-yl 2-bromo-2-(4-methoxyphenyl)acetate (1239919-83-5)

Guidance literature:

(2R,4R)-pentanediol; With azodicarboxylic acid bis(2-methoxyethyl) ester; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

α-bromo-4-methoxyphenylacetic acid; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol101370x

upstream raw materials:

4-Methoxyphenylacetic acid

Downstream raw materials:

2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine

2-(4-methoxy-phenyl)-4H-benzo[1,4]thiazin-3-one

2-bromo-2-(4-methoxyphenyl)acetyl chloride

(4-methoxyphenyl)(methylamino)acetic acid