Carbamic acid, 4-methylphenyl, methyl ester

Base Information

• Chemical Name: Carbamic acid, 4-methylphenyl, methyl ester
• CAS No.: 5602-96-0
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2924299090
• European Community (EC) Number: 622-724-1
• DSSTox Substance ID: DTXSID30879509
• Nikkaji Number: J540.717F
• Wikidata: Q82861624
• Mol file: 5602-96-0.mol

Synonyms:5602-96-0;Carbamic acid, 4-methylphenyl, methyl ester;methyl N-(4-methylphenyl)carbamate;Carbamic acid, (4-methylphenyl)-, methyl ester;Methyl p-tolylcarbamate;methyl-N-(4-tolyl)carbamate;SCHEMBL514571;Methyl (4-methylphenyl)carbamate;4-tolylcarbamic acid methyl ester;DTXSID30879509;p-Tolyl-carbamic acid methyl ester;METHYL N-(P-TOLYL)CARBAMATE;AKOS003442245;4-Methylphenylcarbamic acid methyl ester;F3035-0984

Chemical Property of Carbamic acid, 4-methylphenyl, methyl ester

Chemical Property:

• Melting Point: 149-151 °C(lit.)
• Boiling Point: 307 °C(lit.)
• PKA: 13.87±0.70(Predicted)
• PSA: 29.10000
• Density: 1.138±0.06 g/cm3(Predicted)
• LogP: 2.02640
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)OC

Technology Process of Carbamic acid, 4-methylphenyl, methyl ester

There total 42 articles about Carbamic acid, 4-methylphenyl, methyl 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: 93.0%

tetramethylorthosilicate (681-84-5) + carbon dioxide (124-38-9,18923-20-1) + p-toluidine (106-49-0,12221-03-3) → methyl p-tolylcarbamate (5602-96-0)

Guidance literature:

With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; In acetonitrile; at 150 ℃; for 24h; under 37503.8 Torr; chemoselective reaction; Autoclave; Inert atmosphere; Ionic liquid; Green chemistry;

DOI:10.1039/c7gc02666h

Reference yield: 92.0%

tetramethoxytitanium + carbon dioxide (124-38-9,18923-20-1) + p-toluidine (106-49-0,12221-03-3) → methyl p-tolylcarbamate (5602-96-0)

Guidance literature:

In acetonitrile; at 150 ℃; for 0.333333h; under 37503.8 Torr; chemoselective reaction; Inert atmosphere; Autoclave;

DOI:10.1246/bcsj.20180127

Reference yield: 84.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 1-methyl-4-nitrobenzene (99-99-0) → methyl p-tolylcarbamate (5602-96-0)

Guidance literature:

With [2,2]bipyridinyl; dodecacarbonyl-triangulo-triruthenium; Pd-clay; In benzene; at 180 ℃; for 12h; under 53200 Torr; Product distribution; Mechanism; var. nitrogen donors and catalysts; also without Ru₃(CO)12 or montmorillonitebipyridinylpalladium(II) acetate (Pd-clay); other mono- and dinitroarenes and alcohols;

DOI:10.1021/ja00062a055

upstream raw materials:

dimethylsulfonioacetate

p-toluidine

methyl chloroformate

methanol

Downstream raw materials:

Chloromethyl-p-tolyl-carbamic acid methyl ester

p-toluidine

p-Tolylisocyanate

methanol