2-Propanol, 1-azido-3-chloro-, (2S)-

Base Information

• Chemical Name: 2-Propanol, 1-azido-3-chloro-, (2S)-
• CAS No.: 681225-50-3
• Molecular Formula: C3H6ClN3O
• Molecular Weight: 135.553
• DSSTox Substance ID: DTXSID50466031
• Nikkaji Number: J2.584.077A
• Wikidata: Q82292403
• Mol file: 681225-50-3.mol

Synonyms:2-Propanol, 1-azido-3-chloro-, (2S)-;681225-50-3;SCHEMBL14831361;DTXSID50466031

Chemical Property of 2-Propanol, 1-azido-3-chloro-, (2S)-

Chemical Property:

• PSA: 69.98000
• LogP: 0.34916
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 135.0199395
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)O)N=[N+]=[N-]
• Isomeric SMILES: C([C@@H](CCl)O)N=[N+]=[N-]

Technology Process of 2-Propanol, 1-azido-3-chloro-, (2S)-

There total 1 articles about 2-Propanol, 1-azido-3-chloro-, (2S)- 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:

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → (R)-(-)-epichlorohydrin (51594-55-9,24969-06-0,13403-37-7) + 1,3-Dichloro-2-propanol (96-23-1) + (2S)-1-azido-3-chloropropan-2-ol (681225-50-3) + (2R)-1-azido-3-chloropropan-2-ol (180587-77-3)

Guidance literature:

With sodium azide; sodium acetate buffer; Agrobacterium radiobacter AD₁ haloalcohol dehalogenase; at 22 ℃; pH=4.5; Further Variations:; pH-values; Product distribution;

DOI:10.1016/j.tetasy.2004.02.009

Reference yield: 91.0%

phenyl chloroformate (1885-14-9) + (2S)-1-azido-3-chloropropan-2-ol (681225-50-3) → 3-chloro-2-((phenoxycarbonyl)oxy)propyl azide (881012-11-9,1216552-75-8,891782-65-3)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 1h;

Reference yield: 90.0%

carbon dioxide (124-38-9,18923-20-1) + (2S)-1-azido-3-chloropropan-2-ol (681225-50-3) → (5S)-5-(chloromethyl)-1,3-oxazolidin-2-one (169048-83-3)

Guidance literature:

With triphenylphosphine; for 10h; under 103.432 - 258.581 Torr; Heating;

DOI:10.1016/j.tetlet.2008.03.061

upstream raw materials:

epichlorohydrin

Downstream raw materials:

(S)-1-amino-3-chloropropan-2-ol

3-chloro-2-((phenoxycarbonyl)oxy)propyl azide

(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one

tert-butyl (2S)-3-chloro-2-hydroxypropylcarbamate