3-(Methoxycarbonyl)-5-methylhexanoate

Base Information

Chemical Name:3-(Methoxycarbonyl)-5-methylhexanoate
CAS No.:130165-76-3
Molecular Formula:C9H16 O4
Molecular Weight:188.224
Hs Code.:2918990090
DSSTox Substance ID:DTXSID50926620
Wikidata:Q82901192
Mol file:130165-76-3.mol

Synonyms:DTXSID50926620;3-(Methoxycarbonyl)-5-methylhexanoate

Suppliers and Price of 3-(Methoxycarbonyl)-5-methylhexanoate

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

American Custom Chemicals Corporation
(R)-2-ISOBUTYLSUCCINIC ACID-1-METHYL ESTER 95.00%
500MG
$ 352.01

Total 9 raw suppliers

Chemical Property of 3-(Methoxycarbonyl)-5-methylhexanoate

Chemical Property:

Vapor Pressure:0.000584mmHg at 25°C
Refractive Index:1.4240 (estimate)
Boiling Point:288.6°Cat760mmHg
Flash Point:108°C
PSA：63.60000
Density:1.069g/cm³
LogP:1.29640
Storage Temp.:Refrigerator (+4°C)
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:187.09703396
Heavy Atom Count:13
Complexity:181

Purity/Quality:

98% ^*data from raw suppliers

(R)-2-ISOBUTYLSUCCINIC ACID-1-METHYL ESTER 95.00% ^*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)CC(CC(=O)[O-])C(=O)OC
Isomeric SMILES:CC(C)C[C@H](CC(=O)[O-])C(=O)OC

Technology Process of 3-(Methoxycarbonyl)-5-methylhexanoate

There total 4 articles about 3-(Methoxycarbonyl)-5-methylhexanoate 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:

: 130165-75-2
(E)-2-(1-isobutylidene)succinic acid 1-methyl ester

: 130165-76-3
(R)-2-isobutylsuccinic acid 1-methyl ester

Guidance literature:: With hydrogen; [Rh(CLPL-S)(COD)]BF₄; In methanol; at 45 ℃; for 18h; under 3750.38 Torr; Product distribution / selectivity;

Reference yield:

: 130165-75-2
(E)-2-(1-isobutylidene)succinic acid 1-methyl ester

: 130165-76-3
(R)-2-isobutylsuccinic acid 1-methyl ester

: 213270-36-1
(S)-(-)-2-isobutylsuccinic acid 1-methyl ester

Guidance literature:: With chiral (1,1'-ferrocenediyl)bis(phospholo[3,4-d][1,3]dioxole); hydrogen; rhodium⁽¹⁺⁾; In methanol; at 20 ℃; for 12h; under 4137.29 Torr; Title compound not separated from byproducts.;
DOI:10.1021/ol0269998

Reference yield:

: 78-84-2
isobutyraldehyde

: 106-65-0
Dimethyl succinate

: 130165-76-3
(R)-2-isobutylsuccinic acid 1-methyl ester

Guidance literature:: With potassium tert-butylate; hydrogen; sodium methylate; (Z,Z)-cycloocta-1,5-diene(S,S-1,2-bis(2,5-diethylphospholanyl)benzene)rhodium(I) tetrafluoroborate; Multistep reaction; 1.) tert-BuOH, 50 deg C, 2 h; r.t., overnight, 2.) MeOH, 5.5. bar, r.t., 2 h;
DOI:10.1002/(SICI)1521-3773(19980803)37:13/14<1931::AID-ANIE1931>3.0.CO;2-3