5-Dimethylamino-4-tolyl methylcarbamate

Base Information

• Chemical Name: 5-Dimethylamino-4-tolyl methylcarbamate
• CAS No.: 14144-91-3
• Molecular Formula: C₁₁H₁₆N₂O₂
• Molecular Weight: 208.26
• DSSTox Substance ID: DTXSID80931101
• Nikkaji Number: J42.906F
• Wikidata: Q82906632
• Mol file: 14144-91-3.mol

Synonyms:14144-91-3;Bayer 42696;BAY 42696;5-Dimethylamino-4-tolyl methylcarbamate;TL-1187;BRN 2731714;AI3-27108;CARBAMIC ACID, METHYL-, 3-(DIMETHYLAMINO)-p-TOLYL ESTER;[3-(dimethylamino)-4-methylphenyl] N-methylcarbamate;N-Methylcarbamic acid 3-(dimethylamino)-4-methylphenyl ester;Carbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester;3-13-00-01573 (Beilstein Handbook Reference);Phenol, 3-(dimethylamino)-4-methyl-, methylcarbamate (ester);Phenol,;DTXSID80931101;LS-50145;3-(Dimethylamino)-4-methylphenyl hydrogen methylcarbonimidate

Chemical Property of 5-Dimethylamino-4-tolyl methylcarbamate

Chemical Property:

• Vapor Pressure: 0.000716mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 307.6°C at 760 mmHg
• Flash Point: 139.8°C
• PSA: 41.57000
• Density: 1.095g/cm³
• LogP: 2.17010
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.121177757
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Dimethylamino-4-tolyl methylcarbamate

There total 3 articles about 5-Dimethylamino-4-tolyl methylcarbamate 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:

methyl isocyanate (624-83-9) + 3-dimethylamino-4-methylphenol (119-31-3) → methyl-carbamic acid-(3-dimethylamino-4-methyl-phenyl ester) (14144-91-3)

Guidance literature:

With diethyl ether;

Reference yield:

N1,N1,6-trimethylbenzene-1,3-diamine (6406-67-3) → methyl-carbamic acid-(3-dimethylamino-4-methyl-phenyl ester) (14144-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; aqueous sulfuric acid / -5 °C / beim anschliessenden Erwaermen der Reaktionsloesung mit Kupfer-Pulver und wss. Schwefelsaeure

2: benzene

With sulfuric acid; sodium nitrite; benzene;

Reference yield:

→ methyl-carbamic acid-(3-dimethylamino-4-methyl-phenyl ester) (14144-91-3)

Guidance literature:

Aus entspr. Carbamat;

upstream raw materials:

methyl isocyanate

3-dimethylamino-4-methylphenol

N¹,N¹,6-trimethylbenzene-1,3-diamine

Downstream raw materials:

2,N,N,N-tetramethyl-5-methylcarbamoyloxy-anilinium; iodide