tert-butyl (3S)-3-amino-5-methylhexanoate

Base Information

Chemical Name:tert-butyl (3S)-3-amino-5-methylhexanoate
CAS No.:166023-30-9
Molecular Formula:C11H23 N O2
Molecular Weight:201.309
Hs Code.:29224985
DSSTox Substance ID:DTXSID201237555
Nikkaji Number:J1.628.299E
Mol file:166023-30-9.mol

Synonyms:tert-butyl (3S)-3-amino-5-methylhexanoate;166023-30-9;(S)-tert-Butyl 3-amino-5-methylhexanoate;MFCD01076260;TERT-BUTYL (3S)-3-AMINO-5-METHYLHEXANOATE, 97;tert-Butyl (3S)-3-amino-5-methyl-hexanoate;SCHEMBL6499084;WBOPVTYXLFEVGP-VIFPVBQESA-N;DTXSID201237555;AKOS017343034;(S)-tert-Butyl3-amino-5-methylhexanoate;Tert-butyl (S)-3-amino-5-methylhexanoate;CS-0273779;EN300-768620;1,1-Dimethylethyl (3S)-3-amino-5-methylhexanoate;(3S)-3-Amino-5-methylhexanoic acid tert-butyl ester;Hexanoic acid,3-amino-5-methyl-,1,1-dimethylethyl ester,(3S)-

Suppliers and Price of tert-butyl (3S)-3-amino-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
(S)-3-AMINO-5-METHYL-HEXANOIC ACID TERT-BUTYL ESTER 95.00%
100MG
$ 189.50

Total 10 raw suppliers

Chemical Property of tert-butyl (3S)-3-amino-5-methylhexanoate

Chemical Property:

Appearance/Colour:Clear colorless to slightly yellow liquid
Vapor Pressure:0.0122mmHg at 25°C
Melting Point:103.00 - 106.00 deg C
Boiling Point:260.5 °C at 760 mmHg
Flash Point:122.9 °C
PSA：52.32000
Density:g/cm³
LogP:2.79190
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:201.172878976
Heavy Atom Count:14
Complexity:182

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-3-AMINO-5-METHYL-HEXANOIC ACID TERT-BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of tert-butyl (3S)-3-amino-5-methylhexanoate

There total 4 articles about tert-butyl (3S)-3-amino-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: 90.0%

: 951174-17-7
tert-butyl (3S,αS)-3-(N-benzyl-N-α-methylbenzylamino)-5-methylhexanoate

: 166023-30-9
1,1-dimethylethyl (3S)-3-amino-5-methylhexanoate

Guidance literature:: With hydrogen; acetic acid; palladium dihydroxide; In methanol; water; at 20 ℃; for 24h; under 760.051 Torr;
DOI:10.1016/j.tetasy.2007.06.008

Reference yield:

: 27784-76-5
tert-butyl diethylphosphonoacetate

: 166023-30-9
1,1-dimethylethyl (3S)-3-amino-5-methylhexanoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: tetrahydrofuran; hexane / -78 - 20 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

2.2: 92 percent / tetrahydrofuran; hexane / 3 h / -78 °C

3.1: 90 percent / H₂; acetic acid / Pd(OH)2/C / methanol; H₂O / 24 h / 20 °C / 760.05 Torr

With n-butyllithium; hydrogen; acetic acid; palladium dihydroxide; In tetrahydrofuran; methanol; hexane; water; 1.1: Horner-Wadsworth-Emmons reaction;
DOI:10.1016/j.tetasy.2007.06.008

Reference yield:

: 138877-97-1
tert-butyl (E)-5-methyl-hex-2-enoate

: 166023-30-9
1,1-dimethylethyl (3S)-3-amino-5-methylhexanoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: 92 percent / tetrahydrofuran; hexane / 3 h / -78 °C

2.1: 90 percent / H₂; acetic acid / Pd(OH)2/C / methanol; H₂O / 24 h / 20 °C / 760.05 Torr

With n-butyllithium; hydrogen; acetic acid; palladium dihydroxide; In tetrahydrofuran; methanol; hexane; water;
DOI:10.1016/j.tetasy.2007.06.008