Z-Thr(Tbu)-Oh.Dcha

Base Information

• Chemical Name: Z-Thr(Tbu)-Oh.Dcha
• CAS No.: 16966-07-7
• Molecular Formula: C16H23NO5^.C12H23N
• Molecular Weight: 490.684
• European Community (EC) Number: 241-040-0
• DSSTox Substance ID: DTXSID60937661
• Mol file: 16966-07-7.mol

Synonyms:16966-07-7;Z-Thr(Tbu)-Oh.Dcha;Dicyclohexylamine (2S,3R)-2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate;N-cyclohexylcyclohexanamine;(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid;O-(tert-Butyl)-N-Cbz-L-threonine Dicyclohexylamine Salt;MFCD00077043;Cbz-O-tert-butyl-L-threonine DCHA;EINECS 241-040-0;Z-Thr(tBu)-OH (dicyclohexylammonium) salt;Cbz-Thr(tBu)-OH.DCHA;SCHEMBL16055126;DTXSID60937661;N-Z-O-tert-butyl-L-threonine (dicyclohexylammonium) salt;AC2233;AKOS015892646;N-Benzyloxycarbonyl-O-tert-butyl-L-threonine, compound with dicyclohexylamine;CS-W007137;AC-13674;DS-16488;A811131;dicyclohexylamine (2S,3R)-2-(benzyloxycarbonylamino)-3-tert-butoxybutanoate;Dicyclohexylamine(2S,3R)-2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate;N-((Benzyloxy)carbonyl)-O-(tert-butyl)-L-threonine dicyclohexylammonium salt;N-alpha-BenZyloxycarbonyl-O-t-butyl-L-threonine dicyclohexylamine (CbZ-L-Thr(tBu)-OH.DCHA);2-(benzyloxycarbonylamino)-3-tert-butoxy-butanoic acid;O-(tert-butyl)-N-Cbz-L-threonine Dicyclohexylamine Salt;N-[(Benzyloxy)(hydroxy)methylidene]-O-tert-butylthreonine--N-cyclohexylcyclohexanamine (1/1)

Chemical Property of Z-Thr(Tbu)-Oh.Dcha

Chemical Property:

• Vapor Pressure: 4.58E-17mmHg at 25°C
• Melting Point: 143-147 °C
• Boiling Point: 636.3 °C at 760 mmHg
• Flash Point: 338.6 °C
• PSA: 96.89000
• LogP: 6.59280
• Storage Temp.: Store at RT.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 490.34067257
• Heavy Atom Count: 35
• Complexity: 487

Purity/Quality:

98%,99%, ^*data from raw suppliers

Z-L-Thr(tBu)-OH*DCHA ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(C(=O)O)NC(=O)OCC1=CC=CC=C1)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2

Technology Process of Z-Thr(Tbu)-Oh.Dcha

There total 3 articles about Z-Thr(Tbu)-Oh.Dcha 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:

N-benzyloxycarbonyl-O-t-butyl-L-threonine (16966-09-9) + N-cyclohexyl-cyclohexanamine (101-83-7) → (2S,3R)-2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid dicyclohexylammonium salt (16966-07-7)

Guidance literature:

In methanol; at 0 ℃; for 0.333333h;

DOI:10.1055/s-0034-1379004

Reference yield:

Cbz-Thr(tBu)-OTIPS → (2S,3R)-2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid dicyclohexylammonium salt (16966-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium fluoride / tetrahydrofuran; methanol / 2 h / 22 °C

2: methanol / 0.33 h / 0 °C

With potassium fluoride; In tetrahydrofuran; methanol;

DOI:10.1055/s-0034-1379004

Reference yield:

→ N-benzyloxycarbonyl-O-tert-butyl-L-threonine, compound with dicyclohexylamine (16966-07-7)

Guidance literature:

aus den Komponenten;

upstream raw materials:

N-benzyloxycarbonyl-O-t-butyl-L-threonine

N-cyclohexyl-cyclohexanamine

Downstream raw materials:

Z-Thr(tBu)-Pro-OtBu

N-benzyloxycarbonyl-O-t-butyl-L-threonine

Z-Thr(t-Bu)-Thr(t-Bu)-O(t-Bu)

Z-Ser(tBu)-Pro-Thr(tBu)-Pro-OtBu

Refernces