2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide

Base Information

• Chemical Name: 2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide
• CAS No.: 53646-01-8
• Molecular Formula: C4H8 Cl N3 O
• Molecular Weight: 149.58
• Hs Code.: 2928000090
• Mol file: 53646-01-8.mol

Synonyms:2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide;53646-01-8;1-Chloro-2-propanone semicarbazone;BRN 1758716;2-Propanone, 1-chloro-, semicarbazone;[(E)-1-chloropropan-2-ylideneamino]urea;C4H8ClN3O;4-03-00-00179 (Beilstein Handbook Reference);C4-H8-Cl-N3-O;Hydrazinecarboxamide, 2-(2-chloro-1-methylethylidene)-;SCHEMBL10500191;AKOS006339558;LS-122833;A923362

Chemical Property of 2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide

Chemical Property:

• Melting Point: 148-149 °C (decomp)
• Boiling Point: °Cat760mmHg
• PKA: 11.21±0.46(Predicted)
• Flash Point: °C
• PSA: 68.47000
• Density: 1.37g/cm³
• LogP: 1.17410
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.0355896
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-2-propanone semicarbazone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide

There total 2 articles about 2-(1-Chloropropan-2-ylidene)hydrazinecarboxamide 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:

chloroacetone (78-95-5) → 1-chloro-propan-2-one semicarbazone (53646-01-8)

Guidance literature:

Reference yield:

semicarbazide hydrochloride (563-41-7) + chloroacetone (78-95-5) → 1-chloro-propan-2-one semicarbazone (53646-01-8)

Guidance literature:

Reference yield: 82.0%

ammonium hexafluorophosphate + di-μ-sulphido-tetrakis(triphenylphosphine)-diplatinum(II) + 1-chloro-propan-2-one semicarbazone (53646-01-8) → [diplatinum(II)(μ-sulfide)(μ-SCH2C(NNHC(O)NH2)Me)(PPh3)4]PF6

Guidance literature:

In methanol; MeC(NNHC(O)NH2)CH2Cl (0.0798 mmol) added to suspn. of Pt complex (0.0665mmol), stirred at room temp. for 1 h, filtered, NH4PF6 (0.92 mmol) adde d; H2O added, ppt. filtered, washed with H2O, Et2O, dried under vac., elem.anal.;

DOI:10.1016/j.ica.2010.07.011

upstream raw materials:

semicarbazide hydrochloride

chloroacetone

Downstream raw materials:

hydroxy-acetone semicarbazone

hydrazodicarboxamide

2-benzylidenehydrazono-4-methylthiazole

5-chloro-4-methyl-1,2,3-thiadiazole