H-Thr(tBu)-OMe.HCl

Base Information

• Chemical Name: H-Thr(tBu)-OMe.HCl
• CAS No.: 71989-43-0
• Molecular Formula: C9H19NO3.HCl
• Molecular Weight: 225.716
• European Community (EC) Number: 868-549-6
• DSSTox Substance ID: DTXSID00584971
• Mol file: 71989-43-0.mol

Synonyms:71989-43-0;H-Thr(tBu)-OMe.HCl;H-THR(TBU)-OME HCL;O-tert-Butyl-L-threonine methyl ester hydrochloride;Methyl O-(tert-butyl)-L-threoninate hydrochloride;methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride;H-Thr(tBU)-OMe hydrochloride;METHYL (2S,3R)-2-AMINO-3-(TERT-BUTOXY)BUTANOATE HYDROCHLORIDE;H-Thr(But)-Ome HCl;MFCD00077111;O-T-Butyl-L-Threonine Methyl Ester Hydrochloride;methyl O-(1,1-dimethylethyl)-L-threoninate hydrochloride;L-Threonine, O-(1,1-dimethylethyl)-, methyl ester, hydrochloride;H-THR(TBU)-OMEHCL;SCHEMBL3505000;DTXSID00584971;SDHKEUUZUMQSAD-HHQFNNIRSA-N;AKOS024258517;CS-W022753;HY-W042013;DS-13768;EN300-316788;A851289;Methyl O-tert-butyl-L-threoninate--hydrogen chloride (1/1);(2S,3R)-methyl 2-amino-3-tert-butoxybutanoate hydrochloride;L-Threonine,O-(1,1-dimethylethyl)-, methyl ester, hydrochloride (1:1);O-t-Butyl-L-threonine methyl ester hydrochloride (H-L-Thr(tBu)-OMe.HCl);O-tert-Butyl-L-threonine methyl ester hydrochloride, >=98.0% (TLC);Methyl (2s,3r)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate hydrochloride

Chemical Property of H-Thr(tBu)-OMe.HCl

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Boiling Point: 289.8 °C at 760 mmHg
• Flash Point: 129.1 °C
• PSA: 61.55000
• LogP: 2.19260
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 225.1131712
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

O-tert-Butyl-L-threonine methyl ester hydrochloride ≥98.0% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of H-Thr(tBu)-OMe.HCl

There total 1 articles about H-Thr(tBu)-OMe.HCl 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: 88.0%

N-benzyloxycarbonyl-O-tert-butylthreonine methyl ester (52785-41-8) → methyl O-(1,1-dimethylethyl)-L-threoninate hydrochloride (71989-43-0)

Guidance literature:

With hydrogen; palladium; In methanol; acetic acid;

DOI:10.1135/cccc19801305

Reference yield: 100.0%

4-{[2-(methyloxy)ethyl]oxy}-2-nitrobenzoic acid (1139573-83-3) + methyl O-(1,1-dimethylethyl)-L-threoninate hydrochloride (71989-43-0) → methyl O-(1,1-dimethylethyl)-N-[(4-{[2-(methyloxy)ethyl]oxy}-2-nitrophenyl)carbonyl]-L-threoninate (1139573-84-4)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; at 70 ℃; for 10h; Product distribution / selectivity;

Reference yield: 96.0%

methyl O-(1,1-dimethylethyl)-L-threoninate hydrochloride (71989-43-0) + O-phenyl phosphorodichloridate (770-12-7) → phenyl-(methoxy-O-tert-butyl-L-threoninyl) phosphorochloridate

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 1.5h;

upstream raw materials:

N-benzyloxycarbonyl-O-tert-butylthreonine methyl ester

Downstream raw materials:

Z-Lys(Boc)-Thr(t-Bu)-OMe

N-(benzyloxycarbonyl)-L-phenylalanyl-L-leucyl-O-tert-butyl-L-threonine methyl ester

<(Benzyloxy)carbonyl>-L-valyl-L-leucyl-O-tert-butyl-L-threonine Methyl Ester

N-o-nitrobenzenesulphenylleucyl-O-tert-butylseryl-O-tert-butylthreonine methyl ester

Refernces