3-Benzyl-5-(iodomethyl)-1,3-oxazolidin-2-one

Base Information

• Chemical Name: 3-Benzyl-5-(iodomethyl)-1,3-oxazolidin-2-one
• CAS No.: 83687-74-5
• Molecular Formula: C11H12INO2
• Molecular Weight: 317.126
• DSSTox Substance ID: DTXSID90509613
• Nikkaji Number: J3.120.552B
• Mol file: 83687-74-5.mol

Synonyms:83687-74-5;3-Benzyl-5-(iodomethyl)-1,3-oxazolidin-2-one;DTXSID90509613

Chemical Property of 3-Benzyl-5-(iodomethyl)-1,3-oxazolidin-2-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 316.99128
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(=O)N1CC2=CC=CC=C2)CI

Technology Process of 3-Benzyl-5-(iodomethyl)-1,3-oxazolidin-2-one

There total 8 articles about 3-Benzyl-5-(iodomethyl)-1,3-oxazolidin-2-one 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: 96.0%

benzyl(prop-2-enyl)carbamic acid benzyl ester (83687-69-8) → 3-benzyl-5-(iodomethyl)oxazolidin-2-one (83687-74-5)

Guidance literature:

With iodine; In dichloromethane; for 2.5h; Ambient temperature;

Reference yield: 92.0%

Allylbenzylamine (4383-22-6) + carbon dioxide (124-38-9,18923-20-1) → 3-benzyl-5-(iodomethyl)oxazolidin-2-one (83687-74-5)

Guidance literature:

With N,N,N',N'-tetramethyl-N-phenylguanidine; iodine; In acetonitrile; at 20 ℃; for 18h; atmospheric pressure;

DOI:10.1080/00397910600773890

Reference yield: 80.0%

tert-butyl N-allyl-N-benzylcarbamate (169268-96-6) → 3-benzyl-5-(iodomethyl)oxazolidin-2-one (83687-74-5)

Guidance literature:

With N-iodo-succinimide; In tetrahydrofuran; at 80 ℃; for 1h; Temperature; Reagent/catalyst; Sealed tube;

DOI:10.1021/acs.orglett.0c01114

upstream raw materials:

benzyl(prop-2-enyl)carbamic acid benzyl ester

Allylbenzylamine

carbon dioxide

N-tert-butoxycarbonylbenzylamine

Downstream raw materials:

Allylbenzylamine

(±)-N-benzyl-5-benzyloxazolidin-2-one

3-benzyl-4-methyl-oxazolidin-2-one