3-Benzyl-4-methoxy-4-oxobutanoate

Base Information

Chemical Name:3-Benzyl-4-methoxy-4-oxobutanoate
CAS No.:182247-45-6
Molecular Formula:C12H14O4
Molecular Weight:222.241
Hs Code.:29171990
DSSTox Substance ID:DTXSID50939553
Wikidata:Q82916050
Mol file:182247-45-6.mol

Synonyms:DTXSID50939553;3-Benzyl-4-methoxy-4-oxobutanoate;(S)-(-)-3-Methoxycarbonyl-4-phenylbutyric acid

Suppliers and Price of 3-Benzyl-4-methoxy-4-oxobutanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
(S)-3-Benzyl-4-methoxy-4-oxobutanoicacid 95+%
1g
$ 491.00

American Custom Chemicals Corporation
(S)-(-)-2-BENZYLSUCCINIC ACID 1-METHYL ESTER 95.00%
250MG
$ 762.83

Ambeed
(S)-3-Benzyl-4-methoxy-4-oxobutanoicacid 95%
1g
$ 466.00

Alfa Aesar
(S)-(-)-2-Benzylsuccinic acid 1-methyl ester, 98+%, ee 98+%
1g
$ 486.00

Alfa Aesar
(S)-(-)-2-Benzylsuccinic acid 1-methyl ester, 98+%, ee 98+%
250mg
$ 169.00

AHH
(S)-(-)-2-Benzylsuccinicacid1-methylester 98%
5g
$ 720.00

Total 23 raw suppliers

Chemical Property of 3-Benzyl-4-methoxy-4-oxobutanoate

Chemical Property:

Appearance/Colour:yellow viscous liquid
Vapor Pressure:5.84E-06mmHg at 25°C
Refractive Index:1.529
Boiling Point:364.7 °C at 760 mmHg
Flash Point:138.8 °C
PSA：63.60000
Density:1.189 g/cm³
LogP:1.49300
Storage Temp.:Refrigerator (+4°C)
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:221.08138389
Heavy Atom Count:16
Complexity:238

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Benzyl-4-methoxy-4-oxobutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(CC1=CC=CC=C1)CC(=O)[O-]
Isomeric SMILES:COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)[O-]

Technology Process of 3-Benzyl-4-methoxy-4-oxobutanoate

There total 3 articles about 3-Benzyl-4-methoxy-4-oxobutanoate 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:

: 3-(methoxycarbonyl)-4phenylbut-3-enoic acid

: 182247-45-6
(S)-3-benzyl-4-methoxy-4-oxobutanoic acid

: 119807-84-0
(R)-3-benzyl-4-methoxy-4-oxobutanoic acid

Guidance literature:: With hydrogen; [Rh(S,S,R,R)TangPhos(nbd)]SbF₆; In tetrahydrofuran; at 20 ℃; for 24h; under 1034.32 Torr; Title compound not separated from byproducts.;
DOI:10.1021/ol0272592

Reference yield:

: 3-(methoxycarbonyl)-4phenylbut-3-enoic acid

: 182247-45-6
(S)-3-benzyl-4-methoxy-4-oxobutanoic acid

Guidance literature:: With hydrogen; 2,3-bis-[(R,R)-2,5-dimethylphospholan-1-yl]-maleic anhydride; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; In dichloromethane; at 25 ℃; for 5h; under 3000.3 Torr;
DOI:10.1002/adsc.200404080

Reference yield:

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 35262-43-2
dimethyl 2-benzylsuccinate

: 182247-45-6
(S)-3-benzyl-4-methoxy-4-oxobutanoic acid

Guidance literature:: With porcine pancrease lipase; Yield given. Multistep reaction; 1) 0.1M KHPO₄ buffer (pH = 7.2), 3) 0.1M KHPO₄ buffer (pH = 7.2);
DOI:10.1016/0040-4039(96)01339-1