7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Base Information

Chemical Name:7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:173458-80-5
Molecular Formula:C15H14ClN3
Molecular Weight:271.749
Hs Code.:
European Community (EC) Number:843-097-2
DSSTox Substance ID:DTXSID301324690
ChEMBL ID:CHEMBL1376162

Synonyms:7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;173458-80-5;7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine;MLS001195354;SMR000550587;SCHEMBL2464129;CHEMBL1376162;cid_1475476;BDBM100234;DTXSID301324690;HMS2870G21;AKOS005075319;10L-335S;CS-0230578;EN300-104546;SR-01000307833;SR-01000307833-1;Z1375754344;4-Chloro-5,6-dimethyl-7-benzyl-pyrrolo[2,3-d]-pyrimidine;4-chloro-5,6-dimethyl-7-benzyl-pyrrolo[2,3-d]pyrimidine;7-benzyl-4-chloro-5,6-dimethyl-pyrrolo[2,3-d]pyrimidine;4-chloranyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine

Suppliers and Price of 7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

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

AK Scientific
7-Benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
10g
$ 3111.00

AK Scientific
7-Benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
5g
$ 2130.00

Total 3 raw suppliers

Chemical Property of 7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Chemical Property:

Boiling Point:455.2±45.0 °C(Predicted)
PSA：30.71000
Density:1.25±0.1 g/cm3(Predicted)
LogP:3.74980
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:271.0876252
Heavy Atom Count:19
Complexity:306

Purity/Quality:

98%+ ^*data from raw suppliers

7-Benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(N(C2=C1C(=NC=N2)Cl)CC3=CC=CC=C3)C

Technology Process of 7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

There total 5 articles about 7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine 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%

: 173458-77-0
7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

: 173458-80-5
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Guidance literature:: With N,N-dimethyl-aniline; trichlorophosphate; In N,N-dimethyl-aniline; at 20 ℃; for 3.5h; Reflux;
DOI:10.1021/acs.jmedchem.7b01290

Reference yield:

: 173458-77-0
7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

: 173458-80-5
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

: 173458-79-2
7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

Guidance literature:: With trichlorophosphate; In ethyl acetate;

Reference yield:

: 55817-72-6
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

: 173458-80-5
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / 5 h / 110 °C

2: 76 percent / POCl₃ / 2.5 h / Heating

With trichlorophosphate;
DOI:10.1021/jm960118j