1,2-Butanediamine

Base Information

• Chemical Name: 1,2-Butanediamine
• CAS No.: 4426-48-6
• Molecular Formula: C4H12N2
• Molecular Weight: 88.1515
• Hs Code.: 2921290000
• European Community (EC) Number: 610-171-9
• DSSTox Substance ID: DTXSID10963197
• Nikkaji Number: J567.175B
• Mol file: 4426-48-6.mol

Synonyms:butane-1,2-diamine;1,2-Butanediamine;1,2-DIAMINOBUTANE;4426-48-6;DTXSID10963197;AKOS009545808;FT-0760020;EN300-145442;A802239;4-(CYANOMETHYL)PHENYL4-METHYLBENZENE-1-SULFONATE

Chemical Property of 1,2-Butanediamine

Chemical Property:

• Vapor Pressure: 6.74mmHg at 25°C
• Boiling Point: 138.4°Cat760mmHg
• PKA: pK1: 6.399(+2);pK2: 9.388(+1) (25°C)
• Flash Point: 36.3°C
• PSA: 52.04000
• Density: 0.861g/cm³
• LogP: 1.08300
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.100048391
• Heavy Atom Count: 6
• Complexity: 28.7

Purity/Quality:

99.3% ^*data from raw suppliers

1,2-DIAMINOBUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CN)N

Technology Process of 1,2-Butanediamine

There total 17 articles about 1,2-Butanediamine 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: 58.2%

(S)-2-amino-butanamide hydrochloride (53726-14-0,7682-20-4,141978-61-2) → 1,2-butanediamine (4426-48-6)

Guidance literature:

(S)-2-amino-butanamide hydrochloride; With sodium methylate; In methanol; at 20 ℃; for 1h; Inert atmosphere;

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 70 ℃; for 18h;

Reference yield:

2-aminobutyronitrile hydrochloride (93554-80-4) → 1,2-butanediamine (4426-48-6)

Guidance literature:

With hydrogenchloride; hydrogen; platinum(IV) oxide; In ethanol;

DOI:10.1021/ja01488a049

Reference yield:

→ 1,2-butanediamine (4426-48-6)

Guidance literature:

With potassium hydroxide; water; Hydrolysis;

DOI:10.1021/ja01175a082

upstream raw materials:

2-aminobutyronitrile

1,2-dibromobutane

ethyl-ethanediyl diisocyanate

1,2-dinitro-butane

Downstream raw materials:

4-ethylimidazolidine-2-one

N-[2-(6-Ethyl-3-oxo-3,4,5,6-tetrahydro-pyrazin-2-yl)-phenyl]-acetamide

Refernces

• 1、 Jirkovská, Anna,Karabanovich, Galina,Kube?, Jan,Skalická, Veronika,Melnikova, Iuliia,Korábe?ny, Jan,Ku?era, Tomá?,Jirkovsky, Eduard,Nováková, Lucie,Bavlovi? Piská?ková, Hana,?koda, Josef,?těrba, Martin,Austin, Caroline A.,?im?nek, Tomá?,Roh, Jaroslav. "Structure-Activity Relationship Study of Dexrazoxane Analogues Reveals ICRF-193 as the Most Potent Bisdioxopiperazine against Anthracycline Toxicity to Cardiomyocytes Due to Its Strong Topoisomerase IIβ Interactions". . p. 3997 - 4019. Retrieved 2021/05/04.