3-(Methoxycarbonyl)-4-methylpentanoate

Base Information

Chemical Name:3-(Methoxycarbonyl)-4-methylpentanoate
CAS No.:208113-95-5
Molecular Formula:C8H13O4-
Molecular Weight:174.197
Hs Code.:2918990090
DSSTox Substance ID:DTXSID50943059
Wikidata:Q82920085
Mol file:208113-95-5.mol

Synonyms:DTXSID50943059;3-(Methoxycarbonyl)-4-methylpentanoate

Suppliers and Price of 3-(Methoxycarbonyl)-4-methylpentanoate

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-(Methoxycarbonyl)-4-methylpentanoicacid 95+%
1g
$ 772.00

American Custom Chemicals Corporation
(S)-2-ISOPROPYLSUCCINIC ACID-1-METHYL ESTER 95.00%
1G
$ 826.22

American Custom Chemicals Corporation
(S)-2-ISOPROPYLSUCCINIC ACID-1-METHYL ESTER 95.00%
5MG
$ 495.74

AHH
(S)-2-Isopropylsuccinicacid-1-methylester 95%
1g
$ 405.00

Total 11 raw suppliers

Chemical Property of 3-(Methoxycarbonyl)-4-methylpentanoate

Chemical Property:

Refractive Index:1.4630 (estimate)
Boiling Point:272.4°Cat760mmHg
PKA:4.41±0.19(Predicted)
Flash Point:104.3°C
PSA：63.60000
Density:1.092g/cm³
LogP:0.90630
Storage Temp.:Refrigerator (+4°C)
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:173.08138389
Heavy Atom Count:12
Complexity:168

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-(Methoxycarbonyl)-4-methylpentanoicacid 95+% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(Methoxycarbonyl)-4-methylpentanoate

There total 6 articles about 3-(Methoxycarbonyl)-4-methylpentanoate 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:

: 130165-83-2
3-(methoxycarbonyl)-4-methylpent-3-enoic acid

: 220498-08-8
(R)-3-(methoxycarbonyl)-4-methylpentanoic acid

: 208113-95-5
(S)-3-(methoxycarbonyl)-4-methylpentanoic acid

Guidance literature:: With hydrogen; sodium methylate; <(S,S)-(Me-BPE)Rh(cod)>BF4; In methanol; at 20 ℃; under 4125.3 Torr; Title compound not separated from byproducts;
DOI:10.1002/(SICI)1521-3773(19980803)37:13/14<1931::AID-ANIE1931>3.0.CO;2-3

Reference yield:

: (R)-2-tert-Butoxycarbonyl-3-isopropyl-succinic acid 1-tert-butyl ester 4-methyl ester

: 208113-95-5
(S)-3-(methoxycarbonyl)-4-methylpentanoic acid

Guidance literature:: With trifluoroacetic acid; In toluene; for 5h; Heating;
DOI:10.1021/jm970812e

Reference yield:

: 24347-63-5
methyl (S)-2-hydroxy-3-methylbutanoate

: 208113-95-5
(S)-3-(methoxycarbonyl)-4-methylpentanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 2,6-lutidine / CH₂Cl₂ / 0.17 h

2: 1.) NaH / 1.) DMF, 0 deg C, 3 h, 2.) DMF, CH₂Cl₂, 0 deg C, 3 h

3: TFA / toluene / 5 h / Heating

With 2,6-dimethylpyridine; sodium hydride; trifluoroacetic acid; In dichloromethane; toluene;
DOI:10.1021/jm970812e