Methoxy-carbamic acid phenyl ester

Base Information

• Chemical Name: Methoxy-carbamic acid phenyl ester
• CAS No.: 85989-62-4
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• DSSTox Substance ID: DTXSID70707998
• Wikidata: Q82642017
• Mol file: 85989-62-4.mol

Synonyms:85989-62-4;Carbamic acid, methoxy-, phenyl ester;methoxy-carbamic acid phenyl ester;Phenyl methoxycarbamate;SCHEMBL2082995;DTXSID70707998;WCMDBGGJBGZLDL-UHFFFAOYSA-N;AKOS009090905

Chemical Property of Methoxy-carbamic acid phenyl ester

Chemical Property:

• PSA: 51.05000
• LogP: 1.54080
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CONC(=O)OC1=CC=CC=C1

Technology Process of Methoxy-carbamic acid phenyl ester

There total 2 articles about Methoxy-carbamic acid phenyl 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: 60.0%

N-methoxylamine hydrochloride (593-56-6) + phenyl chloroformate (1885-14-9) → phenyl N-methoxy carbamate (85989-62-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c7cc07926e

Reference yield:

O-Methylhydroxylamin (67-62-9) + phenyl chloroformate (1885-14-9) → phenyl N-methoxy carbamate (85989-62-4)

Guidance literature:

In diethyl ether; for 0.333333h; Ambient temperature;

Reference yield: 95.67%

C28H33F2N3O4S + phenyl N-methoxy carbamate (85989-62-4) → C30H36F2N4O6S

Guidance literature:

C₂₈H₃₃F₂N₃O₄S; phenyl N-methoxy carbamate; In acetonitrile; at 70 ℃; for 2h;

With potassium carbonate; In acetonitrile; at 20 ℃; for 0.5h; Temperature; Solvent;

upstream raw materials:

O-Methylhydroxylamin

phenyl chloroformate

N-methoxylamine hydrochloride

Downstream raw materials:

O-Methylhydroxylamin

phenol

{(R)-3-[4-(1-cyclohexylmethyl-3-methoxy-ureido)-piperidin-1-yl]-butyl}-carbamic acid tert-butyl ester

Refernces

• 1、 Mindl, Jaromir,Sterba, Vojeslav. "KINETICS AND MECHANISM OF HYDROLYSIS OF ARYL N-METHOXYCARBAMATES AND THEIR DERIVATIVES". . p. 900 - 905. Retrieved 2007/10/02.