Carbamic acid, (2-oxoethyl)-, phenylmethyl ester

Base Information

• Chemical Name: Carbamic acid, (2-oxoethyl)-, phenylmethyl ester
• CAS No.: 67561-03-9
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• European Community (EC) Number: 822-684-7
• DSSTox Substance ID: DTXSID70459046
• Nikkaji Number: J246.480B
• Mol file: 67561-03-9.mol

Synonyms:benzyl (2-oxoethyl)carbamate;67561-03-9;Benzyl N-(2-oxoethyl)carbamate;benzyl(2-oxoethyl)carbamate;BENZYL 2-OXOETHYLCARBAMATE;2-(Cbz-amino)acetaldehyde;Carbamic acid, (2-oxoethyl)-, phenylmethyl ester;N-cbz-2-aminoethanal;SCHEMBL867055;(Benzyloxycarbonylamino)ethanal;2-Benzyloxycarbonylaminoethanal;DTXSID70459046;QSNONXQMKXTNQH-UHFFFAOYSA-N;N-Benzyloxycarbonyl Aminoacetaldehyde;MFCD06008302;AT22787;(2-oxoethyl)-carbamic acid benzyl ester;(2-oxo-ethyl)-carbamic acid benzyl ester;SY280161;CS-0350424;EN300-173538

Chemical Property of Carbamic acid, (2-oxoethyl)-, phenylmethyl ester

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC=O

Technology Process of Carbamic acid, (2-oxoethyl)-, phenylmethyl ester

There total 14 articles about Carbamic acid, (2-oxoethyl)-, 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: 95.0%

N-benzyloxycarbonyl-glycine-N'-methoxy-N'-methylamide (121505-94-0) → N-benzyloxycarbonylglycinal (67561-03-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/0040-4039(96)00037-8

Reference yield: 84.0%

benzyl N-(2,2-dimethoxyethyl)carbamate (114790-39-5) → N-benzyloxycarbonylglycinal (67561-03-9)

Guidance literature:

With hydrogenchloride; In water; acetone; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jacs.5b11892

Reference yield: 44.7%

benzyl 2-hydroxyethylcarbamate (77987-49-6) → N-benzyloxycarbonylglycinal (67561-03-9) + N-(Benzyloxycarbonyl)glycine (1138-80-3)

Guidance literature:

With tert.-butylhydroperoxide; Caldariomyces fumago chloroperoxidase; In aq. acetate buffer; at 20 - 23 ℃; for 30h; pH=5; Enzymatic reaction;

DOI:10.1016/j.molcatb.2012.04.010

upstream raw materials:

(2-Ethoxy-2-methoxy-ethyl)-carbamic acid benzyl ester

N-(Benzyloxycarbonyl)allylamine

N-benzyloxycarbonyl-glycine-N'-methoxy-N'-methylamide

benzyl N-(2,2-dimethoxyethyl)carbamate

Downstream raw materials:

6-Benzyloxycarbonylaminomethyl-2-methoxy-5,6-dihydro-2H-pyran

(4-Oxo-3,4-dihydro-2H-pyran-2-ylmethyl)-carbamic acid benzyl ester

(R)-2-(Benzyloxycarbonylamino-methyl)-thiazolidine-4-carboxylic acid methyl ester

(S)-2-(Benzyloxycarbonylamino-methyl)-thiazolidine-4-carboxylic acid methyl ester