2-(3-Methyl-3H-diazirin-3-yl)ethanol

Base Information

• Chemical Name: 2-(3-Methyl-3H-diazirin-3-yl)ethanol
• CAS No.: 25055-82-7
• Deprecated CAS: 1629430-37-0
• Molecular Formula: C4H8N2O
• Molecular Weight: 100.12
• Hs Code.: 2933998090
• European Community (EC) Number: 845-003-5
• UNII: W3T6XGA58Y
• Nikkaji Number: J2.090.644H
• Mol file: 25055-82-7.mol

Synonyms:3-azibutanol

Chemical Property of 2-(3-Methyl-3H-diazirin-3-yl)ethanol

Chemical Property:

• Boiling Point: 133.2±32.0℃ (760 Torr)
• Flash Point: 52.5±14.4℃
• PSA: 44.95000
• Density: 1.26±0.1 g/cm3 (20 oC 760 Torr)
• LogP: -0.57800
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 100.063662883
• Heavy Atom Count: 7
• Complexity: 93.9

Purity/Quality:

97% ^*data from raw suppliers

3,3-Azo-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(N=N1)CCO
• Uses: 3,3-Azo-1-butanol is used in the synthesis of Itraconazole (I937500) analogues for inhibition of endothelial cell proliferation, displaying antiangiogenic and antihedgehog activity. Also used in the synthesis of anticonvulsant methoxypropionamides.

Technology Process of 2-(3-Methyl-3H-diazirin-3-yl)ethanol

There total 3 articles about 2-(3-Methyl-3H-diazirin-3-yl)ethanol 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: 62.0%

1-Hydroxy-3-butanone (590-90-9) → 3-(2-hydroxyethyl)-3-methyl-3H-diazirine (25055-82-7)

Guidance literature:

1-Hydroxy-3-butanone; With ammonia; hydroxylamine-O-sulfonic acid; at -75 - 20 ℃; for 12h; Sealed tube;

With potassium tert-butylate; at -75 - 20 ℃; for 2h; Sealed tube;

DOI:10.1002/anie.201610371

Reference yield:

C4H10N2O (409320-90-7) → 3-(2-hydroxyethyl)-3-methyl-3H-diazirine (25055-82-7)

Guidance literature:

With iodine; triethylamine; In methanol; at 0 ℃; Inert atmosphere;

DOI:10.1021/jm200944b

Reference yield:

→ 3-(2-hydroxyethyl)-3-methyl-3H-diazirine (25055-82-7)

Guidance literature:

aus dem Keton durch Oxid.;

DOI:10.1021/jo00833a001

upstream raw materials:

1-Hydroxy-3-butanone

C₄H₁₀N₂O

Downstream raw materials:

3'-azibutyl 2,3,4,6-tetra-O-benzoyl-α-D-mannopyranoside

C₁₇H₂₃N₃O₃

C₂₄H₂₈N₄O₅

benzyl {4-(cyclohexylamino)-3-[(3-methyl-3H-diaziren-3-yl)methyl]-2,4-dioxobutyl}carbamate

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