[5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Base Information

Chemical Name:[5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CAS No.:91713-46-1
Molecular Formula:C26H23 Cl N4 O5
Molecular Weight:506.945
Hs Code.:29389090
DSSTox Substance ID:DTXSID80550699
Mol file:91713-46-1.mol

Synonyms:91713-46-1;[5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;6-CHLORO-9-(3,5-O-DI(P-TOLUOYL)-beta-D-2-DEOXYRIBOFURANOSYL) PURINE;DTXSID80550699;(2R,3S,5S)-5-(6-chloro-9H-purin-9-yl)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate;(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETICACIDHYDRAZIDE;6-Chloro-9-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-9H-purine

Suppliers and Price of [5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

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

TRC
3,5-O-Ditoluoyl6-Chloropurine-9-β-D-deoxyriboside
1 g
$ 1230.00

Biosynth Carbosynth
6-Chloro-9-(2'-deoxy-3',5'-di-O-toluoyl-b-ribofuranosyl)purine
1 g
$ 735.00

Biosynth Carbosynth
6-Chloro-9-(2'-deoxy-3',5'-di-O-toluoyl-b-ribofuranosyl)purine
500 mg
$ 420.00

Biosynth Carbosynth
6-Chloro-9-(2'-deoxy-3',5'-di-O-toluoyl-b-ribofuranosyl)purine
250 mg
$ 262.50

Biosynth Carbosynth
6-Chloro-9-(2'-deoxy-3',5'-di-O-toluoyl-b-ribofuranosyl)purine
100 mg
$ 158.00

Biosynth Carbosynth
6-Chloro-9-(2'-deoxy-3',5'-di-O-toluoyl-b-ribofuranosyl)purine
50 mg
$ 89.50

American Custom Chemicals Corporation
6-CHLORO-9-(3,5-O-DI(P-TOLUOYL)-BETA-D-2-DEOXYRIBOFURANOSYL) PURINE 95.00%
1G
$ 1871.10

American Custom Chemicals Corporation
6-CHLORO-9-(3,5-O-DI(P-TOLUOYL)-BETA-D-2-DEOXYRIBOFURANOSYL) PURINE 95.00%
100MG
$ 739.20

AK Scientific
6-Chloro-9-(2'-deoxy-3',5'-di-O-toluoyl-beta-ribofuranosyl)purine
50mg
$ 170.00

Total 8 raw suppliers

Chemical Property of [5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Chemical Property:

PSA：105.43000
LogP:4.46660
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:506.1356975
Heavy Atom Count:36
Complexity:773

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-O-Ditoluoyl6-Chloropurine-9-β-D-deoxyriboside ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4Cl)OC(=O)C5=CC=C(C=C5)C
Uses A protected purine deoxynucleoside DNA adduct.

Technology Process of [5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

There total 11 articles about [5-(6-Chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate 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: 61.0%

: 2-deoxy-3,5-O-chlorobenzoyl-β-D-erythro-pentofuranosyl chloride

: 87-42-3,111055-92-6
6-chloro-7H-purine

: 91713-46-1
6-Chloro-9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)purine

Guidance literature:: 6-chloro-7H-purine; With sodium hydride; In acetonitrile; mineral oil; at 20 ℃; for 0.5h; Inert atmosphere; Sealed tube;

2-deoxy-3,5-O-chlorobenzoyl-β-D-erythro-pentofuranosyl chloride; In acetonitrile; for 15.5h;

Reference yield: 61.0%

: 4330-21-6
2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride

: 87-42-3
6-chloropurine

: 91713-46-1
6-Chloro-9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)purine

: 91713-51-8
6-chloro-7-<2-deoxy-3,5-di-O-(4-toluoyl)-β-D-erythro-pentofuranosyl>-7H-purine

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1) acetonitrile, RT, 30 min; 2) acetonitrile, 18 h;
DOI:10.1002/jhet.5570250653

Reference yield: 60.0%

: 756494-13-0
2'-deoxy-3',5'-di-O-(4-methylbenzoyl)inosine

: 91713-46-1
6-Chloro-9-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)purine

Guidance literature:: With N-benzyl-N,N,N-triethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate; In acetonitrile; at 80 ℃; for 0.166667h;
DOI:10.1021/ol048987n