1-Amino-4-hydroxybutan-2-one hydrochloride

Base Information

• Chemical Name: 1-Amino-4-hydroxybutan-2-one hydrochloride
• CAS No.: 92632-79-6
• Molecular Formula: C₄H₉NO₂*ClH
• Molecular Weight: 139.582
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40698061
• Mol file: 92632-79-6.mol

Synonyms:92632-79-6;1-Amino-4-hydroxybutan-2-one hydrochloride;1-amino-4-hydroxy-2-butanone hydrochloride;1-amino-4-hydroxybutan-2-one;hydrochloride;2-Butanone,1-amino-4-hydroxy-, hydrochloride;1-AMINO-4-HYDROXY-BUTAN-2-ONE HYDROCHLORIDE;DTXSID40698061;1-azanyl-4-oxidanyl-butan-2-one hydrochloride;A844294;1-Amino-4-hydroxybutan-2-one--hydrogen chloride (1/1);B2699-192024

Chemical Property of 1-Amino-4-hydroxybutan-2-one hydrochloride

Chemical Property:

• PSA: 63.32000
• LogP: 0.39890
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.0400063
• Heavy Atom Count: 8
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

1-AMINO-4-HYDROXY-BUTAN-2-ONE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C(=O)CN.Cl
• Uses: 1-Amino-4-hydroxy-2-butanone is a metabolite of Clavulanic Acid (C563750, potassium salt) which is a β-lactamase inhibitor, typically added to amoxicillin to increase its effectiveness.

Technology Process of 1-Amino-4-hydroxybutan-2-one hydrochloride

There total 3 articles about 1-Amino-4-hydroxybutan-2-one hydrochloride 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:

1-benzyloxycarbonylamino-4-hydroxybutan-2-one (92632-80-9) → 1-amino-4-hydroxybutan-2-one hydrochloride (92632-79-6)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; water; for 0.333333h; under 760 Torr;

Reference yield:

benzyl 2-benzyloxycarbonylamino-5-hydroxy-3-oxopentanoate (92632-78-5) → 1-amino-4-hydroxybutan-2-one hydrochloride (92632-79-6)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; water; for 0.333333h; under 760 Torr;

Reference yield:

benzyl 2-amino-5-hydroxy-3-oxopentanoate hydrochloride (92632-77-4) → 1-amino-4-hydroxybutan-2-one hydrochloride (92632-79-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water; for 0.5h; under 760 Torr;

upstream raw materials:

1-benzyloxycarbonylamino-4-hydroxybutan-2-one

benzyl 2-benzyloxycarbonylamino-5-hydroxy-3-oxopentanoate

benzyl 2-amino-5-hydroxy-3-oxopentanoate hydrochloride

Downstream raw materials:

1-benzyloxycarbonylamino-4-hydroxybutan-2-one

2,5-bis(2-hydroxyethyl)pyrazine

3-ethyl-2,5-di-(2-hydroxyethyl)-pyrazine

Refernces