4-(Bromomethyl)phenylacetic acid

Base Information

• Chemical Name: 4-(Bromomethyl)phenylacetic acid
• CAS No.: 13737-36-5
• Molecular Formula: C9H9 Br O2
• Molecular Weight: 229.073
• Hs Code.: 29163990
• DSSTox Substance ID: DTXSID40403874
• Nikkaji Number: J208.154G
• Wikidata: Q72447611
• Mol file: 13737-36-5.mol

Synonyms:4-(Bromomethyl)phenylacetic acid;13737-36-5;4-BROMOMETHYLPHENYLACETIC ACID;2-[4-(bromomethyl)phenyl]acetic Acid;2-(4-(bromomethyl)phenyl)acetic acid;4-(Carboxymethyl)benzyl Bromide;Benzeneacetic acid, 4-(bromomethyl)-;4-(Bromomethyl)phenylaceticAcid;[4-(bromomethyl)phenyl]acetic acid;MFCD00010632;PAM ACID;4-(bromomethyl)phenyl acetic acid;(4-Bromomethyl-phenyl)-acetic acid;4-carboxymethylbenzyl bromide;p-bromomethylphenylacetic acid;SCHEMBL219773;4-bromomethyl phenylacetic acid;4-bromomethyl-phenylacetic acid;4-bromomethylphenyl acetic acid;(4-bromomethylphenyl)acetic acid;4(bromomethyl)phenyl acetic acid;4-bromomethyl phenyl acetic acid;4-bromomethyl-phenyl-acetic acid;DTXSID40403874;(4-bromomethyl-phenyl)acetic acid;(4-bromomethylphenyl)-acetic acid;WCOCCXZFEJGHTC-UHFFFAOYSA-N;STR05439;2-(4-bromomethyl-phenyl)-acetic acid;AKOS015889766;AC-1560;4-(Bromomethyl)phenylacetic acid, 95%;2-[4-(bromomethyl)phenyl]acetic acid??;AM808213;SY017383;SY278691;B1351;CS-0009682;FT-0616715;FT-0617899;A18183;EN300-101623;J-007014;J-513672

Chemical Property of 4-(Bromomethyl)phenylacetic acid

Chemical Property:

• Appearance/Colour: White to light beige crystalline powder
• Vapor Pressure: 2.76E-05mmHg at 25°C
• Melting Point: 179-183 °C(lit.)
• Boiling Point: 343.1°Cat760mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 161.3°C
• PSA: 37.30000
• Density: 1.565g/cm³
• LogP: 2.20860
• Storage Temp.: Store at RT.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromomethyl)phenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-42
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)CBr
• Uses: 4-(Bromomethyl)phenylacetic acid was used as the precursor for serine protease inhibitor. It was also used in the synthesis of a novel crown ether receptor and 4-(acetoxymethyl)phenylacetic acid by reacting with excessive sodium acetate and acetic acid.

Technology Process of 4-(Bromomethyl)phenylacetic acid

There total 4 articles about 4-(Bromomethyl)phenylacetic 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: 93.0%

4-tolylacetic acid (622-47-9) → 4-bromophenylacetic acid (13737-36-5)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 25 ℃; for 2.16667h; Solvent; Irradiation;

Reference yield:

4-tolylacetic acid (622-47-9) + dibenzoyl peroxide (94-36-0) → 4-bromophenylacetic acid (13737-36-5)

Guidance literature:

With N-Bromosuccinimide; In benzene;

Reference yield:

4-tolylacetic acid (622-47-9) + azobisisobutyronitrile (34241-39-9) → 4-bromophenylacetic acid (13737-36-5)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; water;

upstream raw materials:

4-tolylacetic acid

dibenzoyl peroxide

azobisisobutyronitrile

Downstream raw materials:

p-(acetoxymethyl)phenylacetic acid

4-(bromomethyl)-phenylacetic acid phenacyl ester

(4-Bromomethyl-phenyl)-acetic acid 2-trimethylsilanyl-ethyl ester

4-chloromethylphenylacetic acid