Primocarcin

Base Information

• Chemical Name: Primocarcin
• CAS No.: 3750-26-3
• Molecular Formula: C8H12N2O3
• Molecular Weight: 184.22
• Hs Code.: 2924199090
• NSC Number: 525602
• UNII: DD0O1I61Y2
• DSSTox Substance ID: DTXSID80190953
• Nikkaji Number: J8.241D
• Wikidata: Q27276331
• Mol file: 3750-26-3.mol

Synonyms:Primocarcin;5-(Acetylamino)-4-oxo-5-hexenamide;3750-26-3;5-Hexenamide, 5-(acetylamino)-4-oxo-;4-Acetamido-4-penten-3-one-1-carboxamide;5-HEXENAMIDE, 5-ACETAMIDO-4-OXO-;NSC525602;NSC 525602;BRN 2415620;UNII-DD0O1I61Y2;DD0O1I61Y2;NSC-525602;PRIMOCARCIN [MI];WLN: ZV2VYU1&MV1;SCHEMBL6671448;DTXSID80190953;LS-75539;Q27276331

Chemical Property of Primocarcin

Chemical Property:

• Vapor Pressure: 6.47E-12mmHg at 25°C
• Melting Point: 130-131°
• Refractive Index: 1.4200 (estimate)
• Boiling Point: 544.5°C at 760 mmHg
• PKA: 12.89±0.46(Predicted)
• Flash Point: 283.1°C
• PSA: 89.26000
• Density: 1.155g/cm³
• LogP: 0.56200
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 184.08479225
• Heavy Atom Count: 13
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

PRIMOCARCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(=C)C(=O)CCC(=O)N

Technology Process of Primocarcin

There total 3 articles about Primocarcin 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:

γ--γ-butyrolacton (1851-59-8) → primocarcin (3750-26-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₃ / dioxane

2: NaHCO₃

3: H₂ / Pd-SrCO₃

With ammonia; hydrogen; sodium hydrogencarbonate; Pd/SrCO₃; In 1,4-dioxane;

DOI:10.1039/jr9650000470

Reference yield:

2-Acetylamino-5-carbamoyl-2-hydroxymethyl-3-oxo-valeriansaeure-benzylester (3750-25-2) → primocarcin (3750-26-3)

Guidance literature:

With hydrogen; Pd/SrCO₃;

DOI:10.1039/jr9650000470

Reference yield:

2-Acetamino-3-oxo-5-carbamoyl-valeriansaeure-benzylester (1851-60-1) → primocarcin (3750-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaHCO₃

2: H₂ / Pd-SrCO₃

With hydrogen; sodium hydrogencarbonate; Pd/SrCO₃;

DOI:10.1039/jr9650000470

upstream raw materials:

2-Acetylamino-5-carbamoyl-2-hydroxymethyl-3-oxo-valeriansaeure-benzylester

2-Acetamino-3-oxo-5-carbamoyl-valeriansaeure-benzylester

γ--γ-butyrolacton