[4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol

Base Information

Chemical Name:[4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
CAS No.:122624-73-1
Molecular Formula:C10H13ClN4O
Molecular Weight:240.69
Hs Code.:
DSSTox Substance ID:DTXSID20561067
Mol file:122624-73-1.mol

Synonyms:122624-73-1;[4-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol;(1R,4S)-rel-4-[(2-Amino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol;{4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl}methanol;1798043-27-2;(4-((2-Amino-6-chloropyrimidin-4-yl)amino)cyclopent-2-en-1-yl)methanol;DKWGUXGAGXYRNE-UHFFFAOYSA-N;SCHEMBL6693741;DTXSID20561067;4-[(2-Amino-6-chloro-4-pyrimidinyl)-amino]-2-cyclopentenylcarbinol

Suppliers and Price of [4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol

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
(1R,4S)-rel-4-[(2-Amino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol
25mg
$ 1320.00

Medical Isotopes, Inc.
(1R,4S)-rel-4-[(2-Amino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol
5 mg
$ 900.00

Total 6 raw suppliers

Chemical Property of [4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol

Chemical Property:

PSA：88.02000
LogP:0.41310
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:240.0777887
Heavy Atom Count:16
Complexity:263

Purity/Quality:

99% ^*data from raw suppliers

(1R,4S)-rel-4-[(2-Amino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C=CC1NC2=CC(=NC(=N2)N)Cl)CO
Uses Labelled Carbovir intermediate.

Technology Process of [4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol

There total 2 articles about [4-[(2-Amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol 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:

: 61865-50-7,86252-77-9
Acetic acid 4-acetylamino-cyclopent-2-enylmethyl ester

: 122624-73-1
(+/-)-cis-<4-<(2-amino-6-chloro-4-pyrimidinyl)amino>-2-cyclopentenyl>carbinol

Guidance literature:: Multi-step reaction with 2 steps

1: 0.5 N aq. barium hydroxide / Heating; overnight

2: Et₃N / butan-1-ol / 48 h / Heating

With barium dihydroxide; triethylamine; In butan-1-ol;
DOI:10.1021/jm00163a004

Reference yield:

: 56-05-3
2-Amino-4,6-dichloropyrimidine

: 229177-39-3
1-amino-4-(hydroxymethyl)-2-cyclopentene

: 122624-73-1
(+/-)-cis-<4-<(2-amino-6-chloro-4-pyrimidinyl)amino>-2-cyclopentenyl>carbinol

Guidance literature:: With triethylamine; In butan-1-ol; for 48h; Yield given; Heating;
DOI:10.1021/jm00163a004

Reference yield:

: 122624-73-1
(+/-)-cis-<4-<(2-amino-6-chloro-4-pyrimidinyl)amino>-2-cyclopentenyl>carbinol

: 118237-88-0
(+/-)-cis-<4-(2,6-diamino-9H-purin-9-yl)-2-cyclopentenyl>carbinol

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) 3 N HCl, sodium nitrite, 2.) sodium acetate trihydrate / 1.) water, 2.) acetic acid, water, RT, overnight

2: 66 percent / Zn, acetic acid / H₂O; ethanol / 3 h / Heating

3: 80 percent / 12 N HCl / overnight

4: 80 percent / liquid ammonia / methanol / 48 h / 75 °C

With hydrogenchloride; ammonia; sodium acetate; acetic acid; zinc; sodium nitrite; In methanol; ethanol; water;
DOI:10.1021/jm00163a004