Pivalaldehyde, semicarbazone

Base Information

• Chemical Name: Pivalaldehyde, semicarbazone
• CAS No.: 23809-33-8
• Molecular Formula: C6H13 N3 O
• Molecular Weight: 143.189
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID60418642
• Mol file: 23809-33-8.mol

Synonyms:Pivalaldehyde, semicarbazone;23809-33-8;SCHEMBL12410752;DTXSID60418642;VZQMUDUULDRAHS-XBXARRHUSA-N;(1E)-2,2-Dimethylpropanal semicarbazone #

Chemical Property of Pivalaldehyde, semicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 12.25±0.46(Predicted)
• Flash Point: °C
• PSA: 67.48000
• Density: 1.05g/cm³
• LogP: 1.77780
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.105862047
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C=NNC(=O)N
• Isomeric SMILES: CC(C)(C)/C=N/NC(=O)N

Technology Process of Pivalaldehyde, semicarbazone

There total 2 articles about Pivalaldehyde, semicarbazone 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:

1-(1-adamantyl)-3-tert-butylaziridinone (62993-79-7) + semicarbazide hydrochloride (563-41-7) → 1-Adamantanamine (768-94-5) + pivalaldehyde semicarbazone (23809-33-8)

Guidance literature:

1-(1-adamantyl)-3-tert-butylaziridinone; With trifluoroacetic acid; In benzene; at 20 ℃; for 66h;

semicarbazide hydrochloride; With sodium acetate; at 20 ℃; for 7.5h; Further stages.;

DOI:10.1016/j.tet.2003.11.067

Reference yield:

semicarbazide hydrochloride (563-41-7) + cis-(1,1'-p-menth-1,8-ylene)bis(3-tert-butyl-2-aziridinone) → pivalaldehyde semicarbazone (23809-33-8) + 1,8-di-isocyano-p-menthane (86469-90-1) + 1,8-dicyano-p-menthane

Guidance literature:

With sodium acetate; In decane; at 174 ℃; for 1h; distillation into receiving flask;

DOI:10.1081/SCC-100107018

Reference yield:

2,2-dimethyl-propionaldehyde-semicarbazone (23809-33-8) → 3-methyl-butan-2-one (563-80-4)

Guidance literature:

With sulfuric acid; at 130 ℃;

upstream raw materials:

semicarbazide hydrochloride

1-(1-adamantyl)-3-tert-butylaziridinone

Downstream raw materials:

3-methyl-butan-2-one

5-tert-butyl-[1,3,4]oxadiazol-2-ylamine