Tert-butyl (S)-4-(cbz-amino)-5-methyl-3-oxohexanoate

Base Information

Chemical Name:Tert-butyl (S)-4-(cbz-amino)-5-methyl-3-oxohexanoate
CAS No.:191731-16-5
Molecular Formula:C19H27NO5
Molecular Weight:349
Hs Code.:2924299090
DSSTox Substance ID:DTXSID30459264
Nikkaji Number:J1.601.393E
Wikidata:Q82282997
Mol file:191731-16-5.mol

Synonyms:191731-16-5;TERT-BUTYL (S)-4-(CBZ-AMINO)-5-METHYL-3-OXOHEXANOATE;(S)-tert-Butyl 4-(((benzyloxy)carbonyl)amino)-5-methyl-3-oxohexanoate;tert-butyl (4S)-5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)hexanoate;SCHEMBL7063703;DTXSID30459264;FGKFTCDIARXOCS-KRWDZBQOSA-N;AC5069;CS-0449155;[N-(Benzyloxycarbonyl)-L-valyl]acetic acid tert-butyl ester;tert-Butyl(S)-4-(cbz-amino)-5-methyl-3-oxohexanoate 97%;(s)-t-butyl 4-(benzyloxycarbonyl)amino-5-methyl-3-oxo-hexanoate;t-butyl-(4S)-4-(N-benzyloxycarbonylamino)-5-methyl-3-oxohexanoate;(S)-tert-Butyl4-(((benzyloxy)carbonyl)amino)-5-methyl-3-oxohexanoate;Tert-butyl (S)-4-(((benzyloxy)carbonyl)amino)-5-methyl-3-oxohexanoate

Suppliers and Price of Tert-butyl (S)-4-(cbz-amino)-5-methyl-3-oxohexanoate

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

SynQuest Laboratories
tert-Butyl (S)-4-(Cbz-amino)-5-methyl-3-oxohexanoate
1 g
$ 336.00

Crysdot
(S)-tert-Butyl4-(((benzyloxy)carbonyl)amino)-5-methyl-3-oxohexanoate 95+%
5g
$ 461.00

Alichem
(S)-tert-Butyl4-(((benzyloxy)carbonyl)amino)-5-methyl-3-oxohexanoate
5g
$ 461.34

AK Scientific
tert-Butyl(S)-4-(Cbz-amino)-5-methyl-3-oxohexanoate
5g
$ 1072.00

Total 8 raw suppliers

Chemical Property of Tert-butyl (S)-4-(cbz-amino)-5-methyl-3-oxohexanoate

Chemical Property:

Vapor Pressure:8.41E-09mmHg at 25°C
Boiling Point:464.4°C at 760 mmHg
Flash Point:234.6°C
PSA：85.19000
Density:1.1g/cm³
LogP:3.44270
Storage Temp.:2-8°C
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:349.18892296
Heavy Atom Count:25
Complexity:461

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl (S)-4-(Cbz-amino)-5-methyl-3-oxohexanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C(=O)CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1
Isomeric SMILES:CC(C)[C@@H](C(=O)CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Technology Process of Tert-butyl (S)-4-(cbz-amino)-5-methyl-3-oxohexanoate

There total 5 articles about Tert-butyl (S)-4-(cbz-amino)-5-methyl-3-oxohexanoate 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: 89.0%

: 540-88-5
acetic acid tert-butyl ester

: 24210-19-3
methyl (2S)-3-methyl-[(benzyloxy)carbonylamino]butanoate

: 191731-16-5
(S)-tert-butyl 4-(benzyloxycarbonyl)amino-5-methyl-3-oxohexanoate

Guidance literature:: acetic acid tert-butyl ester; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at -50 ℃;

methyl (2S)-3-methyl-[(benzyloxy)carbonylamino]butanoate; In tetrahydrofuran; n-heptane; ethylbenzene; at -55 ℃;
DOI:10.1016/S0040-4039(03)00464-7

Reference yield: 65.0%

: 540-88-5
acetic acid tert-butyl ester

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

: 530-62-1
1,1'-carbonyldiimidazole

: 191731-16-5
(S)-tert-butyl 4-(benzyloxycarbonyl)amino-5-methyl-3-oxohexanoate

Guidance literature:: (S)-N-(benzyloxycarbonyl)valine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 1h;

acetic acid tert-butyl ester; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;
DOI:10.1016/j.bmc.2005.05.065

Reference yield: 60.0%

: 540-88-5
acetic acid tert-butyl ester

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

: 191731-16-5
(S)-tert-butyl 4-(benzyloxycarbonyl)amino-5-methyl-3-oxohexanoate

Guidance literature:: (S)-N-(benzyloxycarbonyl)valine; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

acetic acid tert-butyl ester; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 3h; Inert atmosphere;
DOI:10.1007/s11426-011-4478-5