alpha-Aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride

Base Information

• Chemical Name: alpha-Aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride
• CAS No.: 51013-53-7
• Molecular Formula: C8H10 Cl N O . Cl H
• Molecular Weight: 208.087
• European Community (EC) Number: 256-910-5
• Mol file: 51013-53-7.mol

Synonyms:EINECS 256-910-5;alpha-Aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride;51013-53-7;C8H10ClNO.ClH;C8-H10-Cl-N-O.Cl-H;SCHEMBL9827792

Chemical Property of alpha-Aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride

Chemical Property:

• Vapor Pressure: 0.105mmHg at 25°C
• Boiling Point: 221.8°Cat760mmHg
• Flash Point: 88°C
• PSA: 43.09000
• Density: g/cm³
• LogP: 2.85780
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.0217694
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC(=C1)C(C(=O)Cl)N.Cl

Technology Process of alpha-Aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride

There total 1 articles about alpha-Aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride 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:

phosphorpentachlorid + D-2-amino-2-(1,4-cyclohexadien-1-yl)acetic acid (20763-30-8) → D(-)-α-amino-α-(1,4-cyclohexadienyl) acetic acid chloride hydrochloride (51013-53-7)

Guidance literature:

In dichloromethane;

Reference yield:

hydrochloride of 7β-[D-α-amino-α-(1,4-cyclohexadienyl)-acetylamino]-3-methoxy-3-cephem-4-carboxylic acid + D(-)-α-amino-α-(1,4-cyclohexadienyl) acetic acid chloride hydrochloride (51013-53-7) + 7β-amino-3-methoxy-ceph-3-em-4-carboxylic acid hydrochloride dioxanate + acetone (67-64-1) + N,N-bis(trimethylsilyl)acetamide (10416-58-7) → 7β-[D-α-amino-α-(1,4-cyclohexadienyl)-acetylamino]-3-methoxy-3-cephem-4-carboxylic acid dihydrate

Guidance literature:

With sodium hydroxide; methyloxirane; In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane;

upstream raw materials:

D-2-amino-2-(1,4-cyclohexadien-1-yl)acetic acid

Refernces