Ethyl methylcarbamate

Base Information

• Chemical Name: Ethyl methylcarbamate
• CAS No.: 105-40-8
• Molecular Formula: C4H9 N O2
• Molecular Weight: 103.121
• Hs Code.: 2924199090
• European Community (EC) Number: 203-295-6
• NSC Number: 8836
• UNII: 1W34GCF5CS
• DSSTox Substance ID: DTXSID2031746
• Nikkaji Number: J55.518E
• Wikidata: Q27093818
• Metabolomics Workbench ID: 147409
• ChEMBL ID: CHEMBL1232511
• Mol file: 105-40-8.mol

Synonyms:ethyl N-methylcarbamate;N-methylcarbamic acid, ethyl ester

Chemical Property of Ethyl methylcarbamate

Chemical Property:

• Vapor Pressure: 1.36mmHg at 25°C
• Refractive Index: 1.418-1.42
• Boiling Point: 172°Cat760mmHg
• PKA: 13.02±0.46(Predicted)
• Flash Point: 57.8°C
• PSA: 38.33000
• Density: 0.964g/cm³
• LogP: 0.75320
• Water Solubility.: 410g/L(temperature not stated)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methylurethan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: CCOC(=O)NC
• Uses: N-Methylurethan is a byproduct in the synthesis of 3,5-Dimethyl-4-(methylthio)phenol (D474810), which is used as an insecticide and used the synthesis of methiocarb.

Technology Process of Ethyl methylcarbamate

There total 36 articles about Ethyl 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: 90.0%

chloroformic acid ethyl ester (541-41-3) + methylamine (74-89-5) → Ethyl N-methylcarbamate (105-40-8)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 5 ℃;

Reference yield: 90.0%

Dichloronitroacetic acid ethyl ester (24482-75-5) + methylamine (74-89-5) → Ethyl N-methylcarbamate (105-40-8)

Guidance literature:

In water; for 48h; Ambient temperature;

DOI:10.1007/BF00864535

Reference yield: 89.0%

3-carboethoxy-1,3-dimethyltriazene (88211-12-5) → methanol (67-56-1) + Ethyl N-methylcarbamate (105-40-8)

Guidance literature:

With phosphate buffer; sodium perchlorate; water; at 25 ℃; for 18h; Product distribution; other 1,3-dimethyl-3-acyltriazenes;

DOI:10.1021/jo00370a002

upstream raw materials:

acetamide

sodium ethanolate

chloroformic acid ethyl ester

methylamine

Downstream raw materials:

N-methyl-acetamide

ethyl bromide

N-(Ethoxycarbonyl)-N-methylacetamid

chloroethane

Refernces

• 1、 Martinelli,Blanton,Whidby. "Protolysis kinetics of ethyl N-methylcarbamate.". . p. 1895 - 1898. Retrieved 1971.
• 2、 Smith,Taneyhill,Michejda,Smith Jr.. "Base sequence selectivity in the alkylation of DNA by 1,3-dialkyl-3- acyltriazenes". . p. 341 - 348. Retrieved 1996.
• 3、 McCreanor, Niall G.,Stanton, Steven,Bower, John F.. "Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones". supporting information. p. 11465 - 11468. Retrieved 2016/10/06.
• 4、 -. "COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN". Paragraph 00176-00177. . Retrieved 2013/03/28.