1-Amino-3-chloropropan-2-ol

Base Information

• Chemical Name: 1-Amino-3-chloropropan-2-ol
• CAS No.: 3920-12-5
• Deprecated CAS: 59348-49-1,98923-23-0
• Molecular Formula: C3H8ClNO
• Molecular Weight: 109.556
• Hs Code.: 2922199090
• European Community (EC) Number: 223-488-9
• UNII: 2JL5EYL0BJ
• DSSTox Substance ID: DTXSID40884023
• Nikkaji Number: J35.184I,J69.150J
• Wikidata: Q27254828
• Mol file: 3920-12-5.mol

Synonyms:3-amino-1-chloropropan-2-ol;amino-alpha-chlorohydrin;CL 88,236;CL 88236;CL 88236, (+-)-isomer;CL 88236, (R)-isomer;CL 88236, (S)-isomer;CL 88236, hydrochloride;CL 88236, hydrochloride, (+)-isomer;CL 88236, hydrochloride, (+-)-isomer;CL 88236, hydrochloride, (-)-isomer;CL-88236

Chemical Property of 1-Amino-3-chloropropan-2-ol

Chemical Property:

• Vapor Pressure: 0.0067mmHg at 25°C
• Melting Point: 100-103 °C
• Boiling Point: 240.2oC at 760 mmHg
• PKA: 11.70±0.35(Predicted)
• Flash Point: 99.1oC
• PSA: 46.25000
• Density: 1.203g/cm3
• LogP: 0.24510
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 109.0294416
• Heavy Atom Count: 6
• Complexity: 34

Purity/Quality:

97% ^*data from raw suppliers

1-AMINO-3-CHLOROPROPAN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(CCl)O)N

Technology Process of 1-Amino-3-chloropropan-2-ol

There total 10 articles about 1-Amino-3-chloropropan-2-ol 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: 87.0%

1-azido-3-chloro-propan-2-ol (51275-91-3) → 2-hydroxy-3-chloropropylamine (3920-12-5)

Guidance literature:

With sodium tetrahydroborate; zirconium(IV) chloride; In tetrahydrofuran; at 0 - 35 ℃; for 2h;

DOI:10.1080/00397910008087270

Reference yield:

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 2-hydroxy-3-chloropropylamine (3920-12-5)

Guidance literature:

With ammonium hydroxide; at 65 ℃; for 2h;

DOI:10.1016/j.carres.2015.03.009

Reference yield:

2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione (19667-37-9,34839-11-7,148857-42-5,148857-44-7) → 2-hydroxy-3-chloropropylamine (3920-12-5)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01041a038

upstream raw materials:

ethyl acetoacetate

epichlorohydrin

1-chloro-3-(5-chloromethyl-4,5-dihydro-oxazol-2-ylamino)-propan-2-ol

2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione

Downstream raw materials:

1-amino-3-(dimethylamino)propan-(2RS)-2-ol

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