1-Amino-2-butanol

Base Information

• Chemical Name: 1-Amino-2-butanol
• CAS No.: 13552-21-1
• Deprecated CAS: 13552-32-4
• Molecular Formula: C4H11NO
• Molecular Weight: 89.1374
• Hs Code.: 2922199090
• European Community (EC) Number: 670-502-8
• NSC Number: 17695
• UN Number: 2735
• UNII: 19453GN3YQ
• DSSTox Substance ID: DTXSID8025676
• Nikkaji Number: J81.643D
• Wikidata: Q27252061
• Mol file: 13552-21-1.mol

Synonyms:1-amino-2-butanol;mono-sec-butanolamine;monobutanolamine

Chemical Property of 1-Amino-2-butanol

Chemical Property:

• Appearance/Colour: colourless or slightly yellow liquid
• Melting Point: 3°C
• Refractive Index: 1.4490-1.4520
• Boiling Point: 169 °C at 760 mmHg
• PKA: 12.92±0.35(Predicted)
• Flash Point: 61 °C
• PSA: 46.25000
• Density: 0.927 g/cm³
• LogP: 0.41630
• Water Solubility.: Soluble in water
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 89.084063974
• Heavy Atom Count: 6
• Complexity: 30.7
• Transport DOT Label: Corrosive

Purity/Quality:

98% ^*data from raw suppliers

1-Amino-2-butanol >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F
• Hazard Codes: C,F,Xn
• Statements: 34-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CN)O

Technology Process of 1-Amino-2-butanol

There total 17 articles about 1-Amino-2-butanol 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: 94.0%

1-azido-2-butanol (152264-24-9) → 2-hydroxy-butylamine (13552-21-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 20h; under 760.051 Torr;

DOI:10.1002/anie.200700394

Reference yield: 91.0%

(R)-(+)-1,2-epoxybutane (106-88-7,3760-95-0,30608-62-9,55555-96-9) → (R)(-)-1-aminobutan-2-ol (13552-21-1,13552-32-4,30608-63-0,135503-09-2)

Guidance literature:

With ammonium hydroxide; In water; at 20 ℃; for 20h; Time;

Reference yield: 90.0%

(R)(-)-1-N-benzylaminobutan-2-ol (89479-94-7) → (R)(-)-1-aminobutan-2-ol (13552-21-1,13552-32-4,30608-63-0,135503-09-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 30h; under 4560 Torr;

upstream raw materials:

ethyloxirane

1-nitro-2-butanol

2-hydroxybutanenitrile

1-azido-2-butanol

Downstream raw materials:

1-benzoylamino-2-benzoyloxy-butane

1-(2-hydroxybutyl)-3-phenylthiourea

2-ethoxy-butylamine

(2-ethoxy-ethyl)-(2-ethoxy-butyl)-amine

Refernces

• 1、 -. "INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION". Paragraph 1918-1919. . Retrieved 2020/03/01.
• 2、 Yang, Hui,Zheng, Wen-Hua. "Chiral-Organotin-Catalyzed Kinetic Resolution of Vicinal Amino Alcohols". supporting information. p. 16177 - 16180. Retrieved 2019/11/03.