10,11-Dihydrocarbamazepine

Base Information

• Chemical Name: 10,11-Dihydrocarbamazepine
• CAS No.: 3564-73-6
• Molecular Formula: C15H14 N2 O
• Molecular Weight: 238.289
• Hs Code.: 29339900
• European Community (EC) Number: 222-649-0
• UNII: EC017VA9FR
• DSSTox Substance ID: DTXSID90189151
• Nikkaji Number: J13.566F
• Wikidata: Q27277101
• ChEMBL ID: CHEMBL41543
• Mol file: 3564-73-6.mol

Synonyms:10,11-dihydrocarbamazepine;dihydrocarbamazepine

Chemical Property of 10,11-Dihydrocarbamazepine

Chemical Property:

• Vapor Pressure: 1.96E-06mmHg at 25°C
• Melting Point: 205-210 °C(lit.)
• Boiling Point: 394.5°Cat760mmHg
• PKA: 14.07±0.20(Predicted)
• Flash Point: 192.4°C
• PSA: 46.33000
• Density: 1.232g/cm³
• LogP: 3.76730
• Storage Temp.: Refrigerator
• Solubility.: dichloromethane: soluble2.5%, clear, colorless
• Water Solubility.: Soluble in dichloromethane. Insoluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 238.110613074
• Heavy Atom Count: 18
• Complexity: 294

Purity/Quality:

98%,99%, ^*data from raw suppliers

10,11-DihydroCarbamazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-42/43
• Safety Statements: 22-24/25-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N
• Uses: A dihydro impurity of Carbamazepine (C175840) 10,11-Dihydrocarbamazepine is used as internal standard during simultaneous determination of carbamazepine and its active metabolite in plasma by liquid chromatography. It can be used in chemiluminescence method for determination of carbamazepine.

Technology Process of 10,11-Dihydrocarbamazepine

There total 5 articles about 10,11-Dihydrocarbamazepine 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: 85.35%

10,11-dihydro-dibenzo[b,f]azepine-5-carbonyl chloride (33948-19-5) → 10,11-Dihydrocarbamazepin (3564-73-6)

Guidance literature:

With ammonia; In methanol; water; at 57 - 59 ℃; for 1.5h;

DOI:10.1007/BF00758637

Reference yield: 85.0%

carbamazepin (298-46-4) → 10,11-Dihydrocarbamazepin (3564-73-6)

Guidance literature:

With tetraethylammonium perchlorate; ammonium chloride; In water; N,N-dimethyl-formamide; cathodic (Hg, -2.0 V vs. SCE) reduction;

Reference yield:

5H-dibenz[b,f]azepine-5-carbonylchloride (33948-22-0) → 10,11-Dihydrocarbamazepin (3564-73-6)

Guidance literature:

With ammonium hydroxide; In chlorobenzene; at 65 ℃; for 4h; Temperature;

upstream raw materials:

10,11-dihydro-dibenzo[b,f]azepine-5-carbonyl chloride

carbamazepin

9,10-dihydrodibenzazepine

5H-dibenz[b,f]azepine-5-carbonylchloride

Downstream raw materials:

10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide

oxcarbazepine

10,11-dioxo-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic acid amide

carbamazepin

Refernces

• 1、 Moses, G. S.,Rao, K. M.,Rao, N. Srinivasa,Ramachandraiah, A.. "Electrochemical Studies of Carbamazepine". . p. 333 - 338. Retrieved 2007/10/03.
• 2、 Shamshin, V. P.,Voronin, V. G.,Borisov, M. M.,Mufazalova, T. P.. "SYNTHESIS OF CARBAMAZEPINE AND ITS ANTIALCOHOL ACTIVITY". . p. 443 - 448. Retrieved 2007/10/02.