L-Threoninol

Base Information

• Chemical Name: L-Threoninol
• CAS No.: 3228-51-1
• Molecular Formula: C4H11 N O2
• Molecular Weight: 105.137
• Hs Code.: 29221985
• European Community (EC) Number: 803-664-7
• UNII: A16V466XOD
• DSSTox Substance ID: DTXSID30186028
• Nikkaji Number: J778.992K
• Wikidata: Q27273483
• Metabolomics Workbench ID: 146360
• Mol file: 3228-51-1.mol

Synonyms:threoninol

Chemical Property of L-Threoninol

Chemical Property:

• Vapor Pressure: 0.00212mmHg at 25°C
• Melting Point: 49-54 °C(lit.)
• Boiling Point: 257.8 °C at 760 mmHg
• PKA: 12.61±0.45(Predicted)
• Flash Point: 109.7 °C
• PSA: 66.48000
• Density: g/cm³
• LogP: -0.61290
• Storage Temp.: −20°C
• Solubility.: Water (Sparingly)
• Water Solubility.: Soluble
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 105.078978594
• Heavy Atom Count: 7
• Complexity: 49

Purity/Quality:

99%min ^*data from raw suppliers

L-Threoninol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(CO)N)O
• Isomeric SMILES: C[C@H]([C@@H](CO)N)O

Technology Process of L-Threoninol

There total 14 articles about L-Threoninol 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: 86.0%

L-threonine (72-19-5,134357-96-3,7013-32-3,82822-12-6) → L-threoninol (3228-51-1)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; for 18h; Heating;

DOI:10.1081/SCC-120015822

Reference yield: 80.0%

(2R,3R)-2-amino-3-(benzyloxy)butan-1-ol hydrochloride (160841-03-2) → L-threoninol (3228-51-1)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; acetic acid;

DOI:10.1021/jm00048a011

Reference yield:

ethyl 2-hydroxyimino-3-oxobutanoate (5408-04-8) → (+/-)-erythro-2-amino-butanediol-(1.3) (515-93-5,3228-51-1,4493-96-3,31066-40-7,44520-54-9,44520-55-0,108102-48-3,108102-49-4,108102-50-7)

Guidance literature:

With methanol; nickel; at 80 ℃; under 117681 Torr; Hydrogenation;

DOI:10.1021/ja01189a085

upstream raw materials:

(+/-)-threonine methyl ester hydrochloride

allo-Thr-OMe

(+/-)-erythro-2-benzylamino-butane-1,3-diol

ethyl 2-hydroxyimino-3-oxobutanoate

Downstream raw materials:

[(R,R)-2-(2-iodophenyl)-5-methyl-4,5-dihydrooxazol-4-yl]methanol

4-((2R,3R)-1,3-dihydroxybutan-2-ylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide