5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene

Base Information

• Chemical Name: 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
• CAS No.: 1210-33-9
• Molecular Formula: C15H13 Cl
• Molecular Weight: 228.721
• Hs Code.: 29039930
• European Community (EC) Number: 214-910-2
• NSC Number: 86154
• DSSTox Substance ID: DTXSID20153103
• Nikkaji Number: J1.763I
• Wikidata: Q72518203
• Mol file: 1210-33-9.mol

Synonyms:1210-33-9;5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene;5-Chlorodibenzosuberane;Dibenzosuberyl chloride;5-chloro-10,11-dihydro-5H-dibenzo[a,d][7]annulene;5H-Dibenzo[a,d]cycloheptene, 5-chloro-10,11-dihydro-;C15H13Cl;EINECS 214-910-2;NSC 86154;5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-CHLORO-;BRN 0612280;5-Chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene;MFCD00003592;2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;4-05-00-02198 (Beilstein Handbook Reference);5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro-;5-dibenzosuberyl chloride;NSC86154;5-chloro-dibenzosuberane;5-Chloro-10,d]cycloheptene;SCHEMBL440138;5-Chlorodibenzosuberane, 96%;C15-H13-Cl;DTXSID20153103;WLN: L C676&T&J BG;5-Chloro-2,3:6,7-dibenzosuberane;NSC-86154;AKOS005067372;AS-46986;LS-60691;SY049755;5-Chlorodibenzo[a,d]cyclohepta[1,4]diene;5H-Dibenzo[a, 10,11-dihydro-5-chloro-;5H-Dibenzo[a, 5-chloro-10,11-dihydro-;CS-0045350;D2461;FT-0620314;F11136;A852211;J-004428;5-CHLORO-10 11-DIHYDRO-5H-DIBENZO(A D)CYCLOHEPTENE;5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro- (8CI)

Chemical Property of 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 106-107 °C(lit.)
• Boiling Point: 321.7°Cat760mmHg
• Flash Point: 136.6°C
• PSA: 0.00000
• Density: 1.19g/cm³
• LogP: 4.11340
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 228.0705781
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

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

Dibenzosuberyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 34
• Hazard Codes: 34:
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl
• Uses: Reagent for introduction of the 5-dibenzosuberyl moiety as a modulator for anticancer drugs.1 Dibenzosuberyl Chloride is used in the synthesis of atypical tricyclic antidepressant as well as dibenzosuberyl-substituted tropines as ligands for acetylcholine-binding protein. Dibenzosuberyl Chlori de is also used in the preparation of amino protecting group for solid phase peptide synthesis. Dibenzosuberyl Chloride is used in the synthesis of atypical tricyclic antidepressant as well as dibenzosuberyl-substituted tropines as ligands for acetylcholine-binding protein. Dibenzosuberyl Chloride is also used in the preparation of amino protecting group for solid phase peptide synthesis.

Technology Process of 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene

There total 4 articles about 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene 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: 93.0%

dibenzosuberol (1210-34-0) → 5-chlorodibenzosuberane (1210-33-9)

Guidance literature:

With hydrogenchloride; calcium chloride; In benzene; for 2.5h;

Reference yield:

10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one (1210-35-1) → 5-chlorodibenzosuberane (1210-33-9)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc-powder; ethanolic NaOH

2: SOCl₂; pyridine; benzene

With pyridine; sodium hydroxide; thionyl chloride; zinc; benzene;

Reference yield:

o-phenethylbenzoic acid (4890-85-1) → 5-chlorodibenzosuberane (1210-33-9)

Guidance literature:

Multi-step reaction with 3 steps

1: polyphosphoric acid

2: zinc-powder; ethanolic NaOH

3: SOCl₂; pyridine; benzene

With pyridine; sodium hydroxide; thionyl chloride; PPA; zinc; benzene;

upstream raw materials:

dibenzosuberol

10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one

o-phenethylbenzoic acid

Downstream raw materials:

10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile

(S)-2-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)-3-phenyl-propionic acid 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ester

1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine

N-Dibenzosuberyl-2-(4-methoxyphenyl)-ethylamin

Refernces

• 1、 -. "The second aryl piperazine compounds and their pharmaceutical use (by machine translation)". Paragraph 0234. . Retrieved 2017/07/26.
• 2、 Ilies, Monica,Banciu, Mircea D.,Scozzafava, Andrea,Ilies, Marc A.,Caproiu, Miron T.,Supuran, Claudiu T.. "Protease inhibitors: Synthesis of bacterial collagenase and matrix metalloproteinase inhibitors incorporating arylsulfonylureido and 5-dibenzo-suberenyl/suberyl moieties". . p. 2227 - 2239. Retrieved 2007/10/03.