Benzyl iodoacetate

Base Information

• Chemical Name: Benzyl iodoacetate
• CAS No.: 81867-37-0
• Molecular Formula: C9H9IO2
• Molecular Weight: 276.074
• European Community (EC) Number: 279-839-1
• NSC Number: 21800
• UNII: 8EV3AE4P45
• DSSTox Substance ID: DTXSID00231438
• Nikkaji Number: J296.131H
• Wikidata: Q83112385
• Mol file: 81867-37-0.mol

Synonyms:Benzyl iodoacetate;benzyl 2-iodoacetate;81867-37-0;Acetic acid, iodo-, phenylmethyl ester;AI3-30417;8EV3AE4P45;EINECS 279-839-1;NSC-21800;benzyl-2-iodoacetate;Phenylmethyl 2-iodoacetate;Iodoacetic acid benzyl ester;UNII-8EV3AE4P45;SCHEMBL4413332;DTXSID00231438;C9-H9-I-O2;NSC21800;NSC 21800;Acetic acid, 2-iodo-, phenylmethyl ester;FT-0756206

Chemical Property of Benzyl iodoacetate

Chemical Property:

• Vapor Pressure: 0.000977mmHg at 25°C
• Boiling Point: 302.6°Cat760mmHg
• Flash Point: 136.8°C
• PSA: 26.30000
• Density: 1.714g/cm³
• LogP: 2.16480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 275.96473
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CI

Technology Process of Benzyl iodoacetate

There total 2 articles about Benzyl iodoacetate 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: 90.0%

Benzyl bromoacetate (5437-45-6) → benzyl iodoacetate (81867-37-0)

Guidance literature:

With sodium iodide; In acetone; at 20 ℃; for 2h;

DOI:10.3762/bjoc.10.31

Reference yield:

Benzyl chloroacetate (140-18-1) → benzyl iodoacetate (81867-37-0)

Guidance literature:

With acetone; sodium iodide;

Reference yield: 99.0%

n-butyl magnesium bromide (693-03-8) + benzyl iodoacetate (81867-37-0) → benzyl 3-methyl-4-pentenoate

Guidance literature:

n-butyl magnesium bromide; zirconocene dichloride; In tetrahydrofuran; benzene; at 0 ℃; for 0.5h;

With 2,4-dimethylpentan-3-one; In tetrahydrofuran; benzene; at 0 ℃; for 3h;

benzyl iodoacetate; With triethyl borane; In tetrahydrofuran; hexane; benzene; at 0 - 25 ℃;

DOI:10.1021/ol036431e

upstream raw materials:

Benzyl chloroacetate

Benzyl bromoacetate

Downstream raw materials:

(S)-2-[Benzyloxycarbonylmethyl-(toluene-4-sulfonyl)-amino]-propionic acid benzyl ester

(S)-2-[Benzyloxycarbonylmethyl-(toluene-4-sulfonyl)-amino]-3-methyl-butyric acid benzyl ester

N,N-bis<((benzyloxy)carbonyl)methyl>-N-(3-phenylprop-2-en-1-yl)amine

2-<(benzyloxy)carbonyl>-1-(2-methyl-4-phenylbut-3-en-2-yl)imidazolidin-4-one