Uses
ChemicalBook > CAS DataBase List > 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

Uses
Product Name
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS No.
3680-69-1
Chemical Name
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms
4-CHLOROPYRROLO[2,3-D]PYRIMIDINE;6-CHLORO-7-DEAZAPURINE;6-CHLORO-7-DEAZAPURINE 4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE 4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDINE 4-CHLOROPYRROLO[2,3-D]PYRIMIDINE 6-CHLORO-7-DEAZAPURIN;Nsc 64952;Brn 0607871;Tofacitinib-6;oro-7-deazapurine;Chloro-7-deazapurine;Tofacitib impurity Q;Tofatinib Impurity 6
CBNumber
CB8742621
Molecular Formula
C6H4ClN3
Formula Weight
153.57
MOL File
3680-69-1.mol
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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Property

Melting point:
188-194 °C
Boiling point:
289.2±50.0 °C(Predicted)
Density 
1.61±0.1 g/cm3(Predicted)
vapor pressure 
0Pa at 25℃
storage temp. 
Keep in dark place,Inert atmosphere,2-8°C
solubility 
Soluble in DMSO, ethyl acetate and methanol.
pka
11.42±0.20(Predicted)
form 
Crystalline Powder
color 
White to tan
InChI
InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKey
BPTCCCTWWAUJRK-UHFFFAOYSA-N
SMILES
C1=NC(Cl)=C2C=CNC2=N1
LogP
0.858 at 30℃
CAS DataBase Reference
3680-69-1(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi,T,Xn
Risk Statements 
36/37/38-25-20/21/22
Safety Statements 
26-37-45-36
RIDADR 
UN 2811 6.1/PG 3
WGK Germany 
3
RTECS 
UY9360000
TSCA 
No
HazardClass 
IRRITANT
PackingGroup 
HS Code 
29335990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H301Toxic if swalloed

Precautionary statements

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
699489
Product name
6-Chloro-7-deazapurine
Purity
97%
Packaging
1g
Price
$15.6
Updated
2024/03/01
TCI Chemical
Product number
C2306
Product name
6-Chloro-7-deazapurine
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$128
Updated
2024/03/01
TCI Chemical
Product number
C2306
Product name
6-Chloro-7-deazapurine
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$396
Updated
2024/03/01
Alfa Aesar
Product number
B25713
Product name
6-Chloro-7-deazapurine, 98%
Packaging
1g
Price
$189.65
Updated
2024/03/01
Alfa Aesar
Product number
B25713
Product name
6-Chloro-7-deazapurine, 98%
Packaging
5g
Price
$734.65
Updated
2024/03/01
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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Chemical Properties,Usage,Production

Uses

4-Chloro-7H-pyrrolo[2,3-d] pyrimidine is an important pharmaceutical intermediate, which is widely used in the synthesis of many pharmaceutical intermediates at home and abroad. Including CP690550, CGP76030 and so on, 4-Chloro-7H-pyrrolo[2,3-d] pyrimidine was the scaffold for many commercially available drugs. Also, 4-Chloro-7H-pyrrolo[2,3-d] pyrimidine was the intermediate of the bulk drug, Tofatinib, which was widely used in treatment of adult patients with moderate to severe rheumatoid arthritis with inadequate or intolerant methotrexate response.

Chemical Properties

Lightbrown to brown crystalline powder

Uses

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is used in the manufacture of Tofacitinib citrate.

Synthesis

The preparation process of pyrimidine includes the first α -alkylation reaction between diethyl malonate and allyl bromide, and the subsequent cyclization reaction with amidine to obtain a six-membered ring of bislactam. The chlorination of carbonyl with phosphorus oxychloride to obtain dichloro pyrimidine ring, followed by the oxidation of the terminal double bond with potassium osmate hydrate and sodium periodate to obtain the aldehyde group. The final reaction with ammonia water to produce SNAr/cyclization reaction, a five-step reaction, total yield of 45.8% to obtain 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine.

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Suppliers

Shandong Dinghao Biological Technology Co. LTD
Tel
18300239268
Email
xinhuang@sddhpharm.com
Country
China
ProdList
79
Advantage
58
Shanghai Arbor Chemical Co., Ltd.
Tel
021-60451682 15021268886
Fax
+86-21-60451682
Email
sales@arborchemical.com
Country
China
ProdList
856
Advantage
55
Shanghai Boc Chemical Co.,Ltd
Tel
021-34975603-808 18721111801
Fax
+86-21-34975602-805
Email
sales@bocpharma.com
Country
China
ProdList
997
Advantage
64
Gansu HaoTian Chemical Technology Co., Ltd.
Tel
0943-6900332 17789447501
Fax
0931-8238232
Email
zhuanxiajiang@haotianpharm.com
Country
China
ProdList
194
Advantage
55
Hangzhou Chemtrue Bio-Tech Co.,Ltd.
Tel
0571-86828652 18857119830
Fax
0571-83522824
Email
sales@chemtrue-bio.com
Country
China
ProdList
326
Advantage
58
Shandong Laifu Technology Development Co., Ltd.
Tel
0531-18053119814 18053119814
Email
1375993372@qq.com
Country
China
ProdList
88
Advantage
58
Jinan Dexinjia Bio&Tech Co., Ltd
Tel
0531-82371986 15064117275
Fax
0531-82375893
Email
daisy@jndxj.com
Country
China
ProdList
1321
Advantage
58
Shandong Renyi Biotechnology Co., Ltd
Tel
13306222239
Email
lijingkeji2023@163.com
Country
China
ProdList
628
Advantage
58
Ningbo jinuo chemical co., LTD
Tel
0574-87314919 057487319282
Email
info@nbinno.com
Country
China
ProdList
7032
Advantage
58
TIANJIN PHARMACN MEDICAL TECHNOLOGY CO.,LTD.
Tel
022-60182192,1339732154 18722583064
Fax
86-22-60979672
Email
marketing@pharmacn.com
Country
China
ProdList
112
Advantage
61
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View Lastest Price from 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine manufacturers

Jinan Million Pharmaceutical Co., Ltd
Product
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 3680-69-1
Price
US $1.00/kg
Min. Order
0.10000000kg
Purity
99%
Supply Ability
200KG
Release date
2024-05-24
Jinan Finer Chemical Co., Ltd
Product
4-Chloropyrrolo[2,3-d]pyrimidine 3680-69-1
Price
US $22.00-20.00/KG
Min. Order
100 mkg
Purity
99%
Supply Ability
20mt
Release date
2019-03-21
Hebei Zhuanglai Chemical Trading Co Ltd
Product
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 3680-69-1
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-11-18

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