2-Propanol, 1-amino-, hydrochloride

Base Information

• Chemical Name: 2-Propanol, 1-amino-, hydrochloride
• CAS No.: 7780-04-3
• Molecular Formula: C3H10ClNO
• Molecular Weight: 111.572
• European Community (EC) Number: 231-948-5
• UNII: 93J8D44RP4
• DSSTox Substance ID: DTXSID00884423
• Wikidata: Q27271598
• Mol file: 7780-04-3.mol

Synonyms:2-Propanol, 1-amino-, hydrochloride;7780-04-3;1-Aminopropan-2-ol hydrochloride;Isopropanolammonium chloride;2-Propanol, 1-amino-, hydrochloride (1:1);1-aminopropan-2-ol;hydrochloride;93J8D44RP4;(R)-1-AMINO-2-PROPANOL HYDROCHLORIDE;1-amino-2-propanol hydrochloride;UNII-93J8D44RP4;aminopropan-2-ol hydrochloride;SCHEMBL1078061;1-Aminopropan-2-olhydrochloride;DTXSID00884423;EINECS 231-948-5;AKOS028114200;2-HYDROXYPROPYLAMINE HYDROCHLORIDE;AS-62090;ISOPROPANOLAMINE HYDROCHLORIDE, (+/-)-;Q27271598

Chemical Property of 2-Propanol, 1-amino-, hydrochloride

Chemical Property:

• Vapor Pressure: 0.858mmHg at 25°C
• Melting Point: 70-73 °C(Solv: ethanol (64-17-5); ethyl acetate (141-78-6))
• Boiling Point: 159.9°C at 760 mmHg
• Flash Point: 73.9°C
• PSA: 46.25000
• LogP: 0.82820
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.0450916
• Heavy Atom Count: 6
• Complexity: 22.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)O.Cl

Technology Process of 2-Propanol, 1-amino-, hydrochloride

There total 5 articles about 2-Propanol, 1-amino-, 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: 80.0%

2-hydroxy-1-nitropropane (3156-73-8) → 1-amino-2-propanol hydrochloride (7780-04-3)

Guidance literature:

2-hydroxy-1-nitropropane; With C₃₆H₅₆Cl₃CrN₂O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In tetrahydrofuran; water; ethyl acetate; at 20 ℃;

DOI:10.1021/jacs.0c12318

Reference yield: 69.0%

isopropyl 2,2,2-trichloroacetimidate (99418-52-7) → 1-amino-2-propanol hydrochloride (7780-04-3)

Guidance literature:

isopropyl 2,2,2-trichloroacetimidate; With N-iodo-succinimide; In 1,2-dichloro-ethane; at 110 ℃; for 3h; Inert atmosphere; Sealed tube;

With hydrogenchloride; In tetrahydrofuran; water; 1,2-dichloro-ethane; at 20 ℃; for 5h; Inert atmosphere; Sealed tube;

DOI:10.1039/c7cc08897c

Reference yield:

N-Benzyliden-2-hydroxy-1-propanamin (124948-53-4) → 1-amino-2-propanol hydrochloride (7780-04-3) + benzaldehyde (100-52-7)

Guidance literature:

With hydrogenchloride; water; at 20 ℃; for 3h;

DOI:10.1021/jo102455q

upstream raw materials:

N-Nitroso-N-(2-hydroxypropyl)-1-methoxyethylamine

N-Benzyliden-2-hydroxy-1-propanamin

3-amino-2-propanol

isopropyl 2,2,2-trichloroacetimidate

Downstream raw materials:

triisopropanolamine

formaldehyd

acetaldehyde

Refernces

• 1、 Mou, Xue-Qing,Chen, Xiang-Yu,Chen, Gong,He, Gang. "Radical-mediated intramolecular β-C(sp3)-H amidation of alkylimidates: Facile synthesis of 1,2-amino alcohols". supporting information. p. 515 - 518. Retrieved 2018/01/19.
• 2、 Huang, Jing-Mei,Zhang, Jue-Fei,Dong, Yi,Gong, Wen. "An effective method to prepare imines from aldehyde, bromide/epoxide, and aqueous ammonia". scheme or table. p. 3511 - 3514. Retrieved 2011/06/22.