[(1R)-1-Phenyl-3-oxobutyl]carbamic acid methyl ester

Base Information

Chemical Name:[(1R)-1-Phenyl-3-oxobutyl]carbamic acid methyl ester
CAS No.:865086-29-9
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:
DSSTox Substance ID:DTXSID50429560
Nikkaji Number:J2.220.830F
Wikidata:Q82242554
ChEMBL ID:CHEMBL1348842

Synonyms:MLS000438999;865086-29-9;SCHEMBL890212;[(1R)-1-Phenyl-3-oxobutyl]carbamic acid methyl ester;CHEMBL1348842;DTXSID50429560;NCGC00090607-02;SMR000113011

Suppliers and Price of [(1R)-1-Phenyl-3-oxobutyl]carbamic acid methyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [(1R)-1-Phenyl-3-oxobutyl]carbamic acid methyl ester

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:247

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC(C1=CC=CC=C1)NC(=O)OC
Isomeric SMILES:CC(=O)C[C@H](C1=CC=CC=C1)NC(=O)OC

Technology Process of [(1R)-1-Phenyl-3-oxobutyl]carbamic acid methyl ester

There total 8 articles about [(1R)-1-Phenyl-3-oxobutyl]carbamic acid 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: 80.0%

: 921766-99-6
2-((R)-methoxycarbonylamino-phenyl-methyl)-3-oxo-butyric acid allyl ester

: 865086-29-9
(R)-(3-oxo-1-phenyl-butyl)-carbamic acid methyl ester

Guidance literature:: bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; acetoacetic acid methyl ester; In dichloromethane; at 20 ℃; for 3.16667h; Product distribution / selectivity;

Reference yield: 80.0%

: 1118-84-9
allyl acetoacetate

: 27593-61-9
benzylidene-carbamic acid methyl ester

: 865086-29-9
(R)-(3-oxo-1-phenyl-butyl)-carbamic acid methyl ester

Guidance literature:: allyl acetoacetate; benzylidene-carbamic acid methyl ester; cinchonine; In dichloromethane; at -35 ℃; for 16h;

Pd(II) methyl acetoacetate; Product distribution / selectivity;

Reference yield:

: 478660-34-3
C₁₅H₁₅NO₄S

: 1118-84-9
allyl acetoacetate

: 865086-29-9
(R)-(3-oxo-1-phenyl-butyl)-carbamic acid methyl ester

: methyl (S)-3-oxo-1-phenylbutylcarbamate

Guidance literature:: C₁₅H₁₅NO₄S; allyl acetoacetate; With sodium carbonate; sodium chloride; Cinchonin; In dichloromethane; water; at -15 ℃; for 48h;

With (+/-)-2,3-O-isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane; acetoacetic acid methyl ester; bis(η3-allyl-μ-chloropalladium(II)); In dichloromethane; at 20 ℃; for 3h; Further stages. Title compound not separated from byproducts.;
DOI:10.1021/jo701777g