CID 11019282

Base Information

• Chemical Name: CID 11019282
• CAS No.: 39994-75-7
• Molecular Formula: C5H11NO3^.HCl
• Molecular Weight: 169.608
• Hs Code.: 29225000
• Mol file: 39994-75-7.mol

Synonyms:

Chemical Property of CID 11019282

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.000687mmHg at 25°C
• Melting Point: 64 °C
• Boiling Point: 238.6 °C at 760 mmHg
• Flash Point: 98.1 °C
• PSA: 72.55000
• LogP: 0.36980
• Storage Temp.: −20°C
• Sensitive.: Moisture Sensitive & Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.0505709
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

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

L-Threonine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)OC)[NH3+])O.[Cl-]
• Isomeric SMILES: C[C@H]([C@@H](C(=O)OC)[NH3+])O.[Cl-]
• Uses: L-Threonine methyl ester is a protected form of L-Threonine (T405500). L-Threonine is an essential amino acid that is commonly used as a feed and food additive. L-Threonine is produced in mass quantities by mutant Escherichia coli strains for research and food nutrition purposes. L-Threonine can be naturally found in fish and poultry, and is incorporated in some important proteins in the human body (such as hemoglobin and insulin).

Technology Process of CID 11019282

There total 20 articles about CID 11019282 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: 100.0%

methanol (67-56-1) + L-threonine (72-19-5,134357-96-3,7013-32-3,82822-12-6) → L-threonine methyl ester hydrochloride (39994-75-7)

Guidance literature:

With thionyl chloride; at 0 - 25 ℃; for 49h;

DOI:10.1021/jm00015a007

Reference yield: 100.0%

L-threonine methyl ester (3373-59-9) → L-threonine methyl ester hydrochloride (39994-75-7)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1002/anie.201403543

Reference yield: 100.0%

methanol (67-56-1) + L-threonine (72-19-5,134357-96-3,7013-32-3,82822-12-6) → L-threonine methyl ester hydrochloride (39994-75-7,60538-15-0,60538-18-3,62076-66-8,76419-75-5,79617-27-9,108724-12-5)

Guidance literature:

With thionyl chloride; at 0 ℃; for 3.25h; Reflux;

DOI:10.1021/acs.joc.8b02684

upstream raw materials:

methanol

D-allo-threonine

L-threonine

N-(tert-butoxycarbonyl)-l-threonine methyl ester

Downstream raw materials:

Boc-Cys(MBzl)-Thr-OMe

methyl N-benzoyl (+/-)-allo-threoninate

Z(NO₂)-Thr-OMe

(2R,4S,5R)-(+)-Methyl 3-(2-chloroacetyl)-5-methyl-2-phenyl-1,3-oxazolidine-4-carboxylate

Refernces

• 1、 -. "(2S, 3R)-3-amino-2-hydroxy-4-phenylbutyrylamide derivative as well as preparation method and application thereof". Paragraph 0047; 0088-0092. . Retrieved 2021/02/10.
• 2、 Bagum, Halima,Christensen, Kirsten E.,Genov, Miroslav,Moloney, Mark G.,Pretsch, Alexander,Pretsch, Dagmar,Shire, Bethany R.. "Bicyclic Lactams Derived from Serine or Cysteine and 2-Methylpropanal". supporting information. p. 378 - 382. Retrieved 2020/02/27.