9-Benzyl-4-chloro-9H-pyrimido[4,5-B]indole

Base Information

Chemical Name:9-Benzyl-4-chloro-9H-pyrimido[4,5-B]indole
CAS No.:136136-48-6
Molecular Formula:C₁₇H₁₂ClN₃
Molecular Weight:293.755
Hs Code.:
DSSTox Substance ID:DTXSID50576982
Wikidata:Q82466879
Mol file:136136-48-6.mol

Synonyms:136136-48-6;9-BENZYL-4-CHLORO-9H-PYRIMIDO[4,5-B]INDOLE;DTXSID50576982

Suppliers and Price of 9-Benzyl-4-chloro-9H-pyrimido[4,5-B]indole

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 9-Benzyl-4-chloro-9H-pyrimido[4,5-B]indole

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:293.0719751
Heavy Atom Count:21
Complexity:358

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=CN=C4Cl

Technology Process of 9-Benzyl-4-chloro-9H-pyrimido[4,5-B]indole

There total 4 articles about 9-Benzyl-4-chloro-9H-pyrimido[4,5-B]indole 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: 84.0%

: 136136-47-5
9-benzyl-4-oxo-9H-pyrimido<4,5-b>indole

: 136136-48-6
9-benzyl-4-chloro-9H-pyrimido<4,5-b>indole

Guidance literature:: With trichlorophosphate; for 1h; Heating;
DOI:10.1007/BF00474241

Reference yield:

: 136136-45-3
cyanoacetic N-benzyl-N-phenylhydrazide

: 136136-48-6
9-benzyl-4-chloro-9H-pyrimido<4,5-b>indole

Guidance literature:: Multi-step reaction with 3 steps

1: POCl₃ / dioxane / Heating

2: NaOAc / 80 °C

3: 84 percent / POCl₃ / 1 h / Heating

With sodium acetate; trichlorophosphate; In 1,4-dioxane;
DOI:10.1007/BF00474241

Reference yield:

: 614-31-3
N-benzyl-N-phenylhydrazine

: 136136-48-6
9-benzyl-4-chloro-9H-pyrimido<4,5-b>indole

Guidance literature:: Multi-step reaction with 4 steps

1: 96 percent / dicyclohexylcarbodiimide / tetrahydrofuran

2: POCl₃ / dioxane / Heating

3: NaOAc / 80 °C

4: 84 percent / POCl₃ / 1 h / Heating

With sodium acetate; dicyclohexyl-carbodiimide; trichlorophosphate; In tetrahydrofuran; 1,4-dioxane;
DOI:10.1007/BF00474241