tert-Butyl 1-allylhydrazinecarboxylate

Base Information

• Chemical Name: tert-Butyl 1-allylhydrazinecarboxylate
• CAS No.: 21075-86-5
• Molecular Formula: C8H16N2O2
• Molecular Weight: 172.227
• Hs Code.: 2928000090
• European Community (EC) Number: 881-789-6
• DSSTox Substance ID: DTXSID30441346
• Nikkaji Number: J1.225.610H
• Wikidata: Q82258099
• Mol file: 21075-86-5.mol

Synonyms:tert-Butyl 1-allylhydrazinecarboxylate;21075-86-5;tert-butyl N-amino-N-prop-2-enylcarbamate;Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester;MFCD18447709;N-(prop-2-en-1-yl)(tert-butoxy)carbohydrazide;1-Boc-1-allylhydrazine;tert-Butyl1-allylhydrazinecarboxylate;SCHEMBL1810981;DTXSID30441346;ZTWGIZOCAXOUOE-UHFFFAOYSA-N;AMY23839;CS-M1025;2-Allylcarbazic acid tert-butyl ester;AKOS006372220;DS-2556;SB86285;SY114485;tert-butyl 1-allylhydrazine-1-carboxylate;FT-0699419;EN300-1589187;n-allyl-hydrazinecarboxylic acid tert-butyl ester;A879269;Hydrazinecarboxylic acid, 1-(2-propen-1-yl)-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl 1-allylhydrazinecarboxylate

Chemical Property:

• Boiling Point: 225.8±33.0 °C(Predicted)
• PKA: 2.81±0.10(Predicted)
• PSA: 55.56000
• Density: 1.012±0.06 g/cm3(Predicted)
• LogP: 1.98350
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 172.121177757
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl1-Allylhydrazinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(CC=C)N

Technology Process of tert-Butyl 1-allylhydrazinecarboxylate

There total 10 articles about tert-Butyl 1-allylhydrazinecarboxylate 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: 96.0%

tert-butyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)prop-2-en-1-ylcarbamate (287729-03-7) → (tert-butoxy)-N-(prop-2-en-1-yl)carbohydrazide (21075-86-5)

Guidance literature:

With methylhydrazine; In tetrahydrofuran; at 20 ℃; for 18h; Cooling with ice;

DOI:10.1002/cmdc.201800188

Reference yield: 96.0%

→ (tert-butoxy)-N-(prop-2-en-1-yl)carbohydrazide (21075-86-5)

Guidance literature:

With methyldiazene; In tetrahydrofuran; at 20 ℃; for 18h; Cooling with ice;

Reference yield:

allylhydrazine (7422-78-8) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 2-(prop-2-en-1-yl)hydrazinecarboxylate (192725-90-9) + (tert-butoxy)-N-(prop-2-en-1-yl)carbohydrazide (21075-86-5)

Guidance literature:

In ethanol; at 0 - 20 ℃; for 12.5h;

upstream raw materials:

allylhydrazine

S-Methyl-monothiokohlensaeure-tert.-butylester

tert-butyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)prop-2-en-1-ylcarbamate

N-(tert-butoxycarbonylamino)phthalimide

Downstream raw materials:

allylhydrazine dihydrochloride

2-allyl-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3 ,4-d]pyrimidin-3-one

tert-butyl 1-allyl-2-(cyclohexylmethylene)hydrazinecarboxylate