(S)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium chloride

Base Information

• Chemical Name: (S)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium chloride
• CAS No.: 5680-80-8
• Molecular Formula: C4H10ClNO3
• Molecular Weight: 155.581
• Hs Code.: 29225000
• Mol file: 5680-80-8.mol

Synonyms:(S)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium chloride;10.14272/NDBQJIBNNUJNHA-DFWYDOINSA-N.1;doi:10.14272/NDBQJIBNNUJNHA-DFWYDOINSA-N.1

Chemical Property of (S)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium chloride

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 0.00953mmHg at 25°C
• Melting Point: 163 °C (dec.)(lit.)
• Boiling Point: 234.7 °C at 760 mmHg
• PKA: pK1:7.03(+1) (25°C,μ=0.1)
• Flash Point: 95.8 °C
• PSA: 72.55000
• LogP: -0.01870
• Storage Temp.: −20°C
• Sensitive.: Moisture Sensitive
• Solubility.: DMSO (Sparingly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 155.0349209
• Heavy Atom Count: 9
• Complexity: 83.4

Purity/Quality:

99% ^*data from raw suppliers

L-Serine methyl ester HCl ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CO)[NH3+].[Cl-]
• Isomeric SMILES: COC(=O)[C@H](CO)[NH3+].[Cl-]
• Uses: L-Serine Methyl Ester Hydrochloride (cas# 5680-80-8) is a compound useful in organic synthesis.

Technology Process of (S)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium chloride

There total 15 articles about (S)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium chloride 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%

L-serin (56-45-1,83245-15-2) + acetyl chloride (75-36-5) → methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride (5680-80-8)

Guidance literature:

acetyl chloride; In methanol; at 20 ℃; for 0.166667h;

L-serin; In methanol; at 80 ℃; for 2h;

Reference yield: 100.0%

methanol (67-56-1) + D,L-serine hydrochloride (16428-75-4,51221-50-2) → methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride (5680-80-8)

Guidance literature:

With hydrogenchloride; for 2h; Reflux;

DOI:10.1039/b920342g

Reference yield: 99.0%

D-Serine (312-84-5,83245-15-2) → D-Serine Methyl Ester Hydrochloric Acid Salt + methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride (5680-80-8)

Guidance literature:

In methanol;

upstream raw materials:

(S)-2-(2-Aza-bicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxy-propionic acid methyl ester

4,5-dihydro-oxazole-4-carboxylic acid methyl ester

methanol

D,L-serine hydrochloride

Downstream raw materials:

Bz-Gly-Ser-OMe

N-(benzyloxycarbonyl)-L-alanyl-L-serine methyl ester

N-(N-Benzloxycarbonyl-D-seryl)-L-serin-methylester

N-(N-benzyloxycarbonyl-L-seryl)-L-serine methyl ester

Refernces

• 1、 -. "Production technology of cycloserine". Paragraph 0032; 0033; 0034; 0035; 0036. . Retrieved 2016/10/31.
• 2、 -. "NUCLEOSIDE DERIVATIVES, SYNTHESIS METHODS AND USES THEREOF FOR PREPARING ANTI-TUMOR AND ANTI-VIRUS MEDICAMENTS". Paragraph 0062. . Retrieved 2013/07/25.