Dibenzosuberol

Base Information

• Chemical Name: Dibenzosuberol
• CAS No.: 1210-34-0
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• Hs Code.: 29062900
• European Community (EC) Number: 214-911-8
• NSC Number: 86157
• UNII: 8JXS94TT9O
• DSSTox Substance ID: DTXSID80153104
• Nikkaji Number: J40.588D
• Wikidata: Q27270649
• Mol file: 1210-34-0.mol

Synonyms:Dibenzosuberol;1210-34-0;5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-;Amitriptyline Impurity 1;NSC 86157;Dibenzo(b,f)cycloheptan-1-ol;10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ol;5-Hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulene;EINECS 214-911-8;10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ol;UNII-8JXS94TT9O;BRN 0520430;8JXS94TT9O;5H-DIBENZO(a,d)CYCLOHEPTEN-5-OL, 10,11-DIHYDRO-;10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ol;MFCD00003593;NSC-86157;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol;4-06-00-04878 (Beilstein Handbook Reference);10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ol (Dibenzosuberol);6,11-dihydro-5H-dibenzo[2,1-b:1',2'-e][7]annulen-11-ol;NSC86157;Dibenzosuberol, 97%;10,d]cyclohepten-5-ol;Dibenzo[b,f]-1-cycloheptanol;SCHEMBL506278;DTXSID80153104;WLN: L C676&T&J BQ;AKOS005067373;AS-55035;LS-60798;SY096665;5-Hydroxydibenzo[a,d]cyclohepta[1,4]diene;CS-0036679;FT-0624629;W12635;10,11-Dihydro-5Hdibenzo[a,d]cicloheptadien-5-ol;A852210;J-004429;Q27270649;6,11-dihydro-5H-dibenzo[[?],[?]][7]annulen-11-ol;AMITRIPTYLINE HYDROCHLORIDE IMPURITY G [EP IMPURITY];NORTRIPTYLINE HYDROCHLORIDE IMPURITY I [EP IMPURITY];5-HYDROXY-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTENE

Chemical Property of Dibenzosuberol

Chemical Property:

• Appearance/Colour: white fluffy powder
• Vapor Pressure: 5.51E-06mmHg at 25°C
• Melting Point: 90-95 °C
• Refractive Index: 1.633
• Boiling Point: 365.5 °C at 760 mmHg
• PKA: 13.56±0.20(Predicted)
• Flash Point: 135.6 °C
• PSA: 20.23000
• Density: 1.163 g/cm³
• LogP: 2.86690
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Dibenzosuberol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
• Uses: Amitriptyline (A633350) impurity. Dibenzosuberol (Amitriptyline EP Impurity G) is an impurity of Amitriptyline (A633350).

Technology Process of Dibenzosuberol

There total 11 articles about Dibenzosuberol 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: 100.0%

10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one (1210-35-1) → dibenzosuberol (1210-34-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.166667h;

DOI:10.3987/COM-10-S(E)126

Reference yield: 99.0%

→ dibenzosuberol (1210-34-0)

Guidance literature:

With potassium tert-butylate; 1-hydrosilatrane; In tetrahydrofuran; N,N-dimethyl-formamide; for 0.5h;

Reference yield:

10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one (1210-35-1) + zinc (7440-66-6) → dibenzosuberol (1210-34-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol; ethanol; chloroform; water; pyrographite;

upstream raw materials:

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

1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-4-methyl-piperazine

4-Nitro-benzoic acid 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ester

1-[(3-bromopropoxy)methyl]-benzene

Downstream raw materials:

4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-N,N-dimethyl-aniline

p-Tolyl-<10,11-dihydro-5H-dibenzocyclohepten-5-yl>-sulfon

10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-yl (phenyl)(p-tolyl)methyl ether

Refernces

• 1、 Young, Michael C.,Johnson, Amber M.,Hooley, Richard J.. "Self-promoted post-synthetic modification of metal-ligand M 2L3 mesocates". . p. 1378 - 1380. Retrieved 2014.
• 2、 Diler, Fatma,Burhan, Hakan,Genc, Hayriye,Kuyuldar, Esra,Zengin, Mustafa,Cellat, Kemal,Sen, Fatih. "Efficient preparation and application of monodisperse palladium loaded graphene oxide as a reusable and effective heterogeneous catalyst for suzuki cross-coupling reaction". . . Retrieved 2019/11/29.
• 3、 Trose, Michael,Lazreg, Fa?ma,Chang, Tao,Nahra, Fady,Cordes, David B.,Slawin, Alexandra M. Z.,Cazin, Catherine S. J.. "Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones". . p. 238 - 242. Retrieved 2017/06/07.