Carbamic acid, (2-iodo-4-methylphenyl)-, phenylmethyl ester

Base Information

• Chemical Name: Carbamic acid, (2-iodo-4-methylphenyl)-, phenylmethyl ester
• CAS No.: 212063-20-2
• Molecular Formula: C15H14INO2
• Molecular Weight: 367.186
• DSSTox Substance ID: DTXSID70454839
• Nikkaji Number: J1.715.278E
• Wikidata: Q82276611
• Mol file: 212063-20-2.mol

Synonyms:212063-20-2;Carbamic acid, (2-iodo-4-methylphenyl)-, phenylmethyl ester;benzyl N-(2-iodo-4-methylphenyl)carbamate;DTXSID70454839;(2-Iodo-4-methylphenyl)carbamic acid benzyl ester;EN300-28300552

Chemical Property of Carbamic acid, (2-iodo-4-methylphenyl)-, phenylmethyl ester

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 367.00693
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NC(=O)OCC2=CC=CC=C2)I

Technology Process of Carbamic acid, (2-iodo-4-methylphenyl)-, phenylmethyl ester

There total 1 articles about Carbamic acid, (2-iodo-4-methylphenyl)-, phenylmethyl ester 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%

2-iodo-4-methylaniline (29289-13-2) + benzyl chloroformate (501-53-1,94274-21-2) → N-carbobenzyloxy-2-iodo-4-toluidine (212063-20-2)

Guidance literature:

DOI:10.1021/jo016080m

Reference yield: 81.0%

1-(p-methylbenzenesulfonyl)-1,3-butadiene (85615-58-3) + N-carbobenzyloxy-2-iodo-4-toluidine (212063-20-2) → N-carbobenzyloxy-6-methyl-2-[(E)-2-(p-toluenesulfonyl)ethenyl]indoline (212063-26-8)

Guidance literature:

With potassium carbonate; palladium diacetate; In water; N,N-dimethyl-formamide; for 192h; Ambient temperature;

DOI:10.1016/S0040-4039(98)01111-3

Reference yield: 75.0%

(E/Z)-1-(phenylthio)buta-1,3-diene (53097-28-2) + N-carbobenzyloxy-2-iodo-4-toluidine (212063-20-2) → N-(carbobenzyloxy)-6-methyl-2-[(E)-2-(phenylthio)ethenyl]indoline

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; palladium diacetate; In acetonitrile; for 96h; Heating;

DOI:10.1021/jo0268714

upstream raw materials:

2-iodo-4-methylaniline

benzyl chloroformate

Downstream raw materials:

N-carbobenzyloxy-6-methyl-2-[(E)-2-(p-toluenesulfonyl)ethenyl]indoline

N-(carbobenzyloxy)-6-methyl-2-[(E)-2-(phenylthio)ethenyl]indole

N-carbobenzyloxy-6-methyl-2-[(E)-2-(p-toluenesulfonyl)ethenyl]indole