4-(5,7,7,10,10-Pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid

Base Information

Chemical Name:4-(5,7,7,10,10-Pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
CAS No.:172705-89-4
Molecular Formula:C29H30 N2 O2
Molecular Weight:438.56
Hs Code.:
DSSTox Substance ID:DTXSID70169375
Nikkaji Number:J686.676J
ChEMBL ID:CHEMBL334330

Synonyms:4-(5H-2,3-(2,5-dimethyl-2,5-hexano)-5-methyldibenzo(b,e)(1,4)-diazepin-11-yl)benzoic acid;4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo(b)naphtho(2,3-e)(1,4)diazepin-12-yl)benzoic acid;HX 600;HX-600;HX600

Suppliers and Price of 4-(5,7,7,10,10-Pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 5 raw suppliers

Chemical Property of 4-(5,7,7,10,10-Pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid

Chemical Property:

Vapor Pressure:9.56E-15mmHg at 25°C
Boiling Point:589.6°Cat760mmHg
Flash Point:310.4°C
PSA：52.90000
Density:1.17g/cm³
LogP:6.48480
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:438.230728204
Heavy Atom Count:33
Complexity:779

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC(C2=C1C=C3C(=C2)N(C4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C

Technology Process of 4-(5,7,7,10,10-Pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid

There total 1 articles about 4-(5,7,7,10,10-Pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid 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:

: 1026720-02-4
4-(7,7,10,10-tetramethyl-5-propyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid methyl ester

: 4-(7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid methyl ester

: 172705-89-4
HX₆₀₀

Guidance literature:: With hydrogen bromide; acetic acid; at 90 ℃; for 17h;

Reference yield:

: 106-95-6
allyl bromide

: 172705-89-4
HX₆₀₀

: 4-(5-allyl-7,7,10,10-tetramethyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid allyl ester

Guidance literature:: HX₆₀₀; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 0.75h;

allyl bromide; With potassium iodide; In DMF (N,N-dimethyl-formamide); for 13h;