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

Base Information Edit

Chemical Name:4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:3680-69-1
Molecular Formula:C6H4ClN3
Molecular Weight:153.571
Hs Code.:29335990
European Community (EC) Number:628-079-2
NSC Number:64952
UNII:9VV5MK5RX3
DSSTox Substance ID:DTXSID70190280
Nikkaji Number:J651.512F
ChEMBL ID:CHEMBL2133071
Mol file:3680-69-1.mol

Synonyms:4-Chloro-7H-pyrrolo[2,3-d]pyrimidine;3680-69-1;4-Chloropyrrolo[2,3-d]pyrimidine;6-Chloro-7-deazapurine;4-Chloro-1H-pyrrolo[2,3-d]pyrimidine;4-Chloropyrrolo(2,3-d)pyrimidine;7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-;Tofacitinib Impurity 06;MFCD01686865;NSC 64952;BRN 0607871;9VV5MK5RX3;1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-;MLS002693495;NSC-64952;4-Chloro-1H-pyrrolo(2,3-d)pyrimidine;4-Chloro-7H-pyrrolo(2,3-d)pyrimidine;NSC64952;tofacitinib intermediate;6-Chloro-7-deazapurin;6-chloro-7-deaza purine;UNII-9VV5MK5RX3;4-CHLORO-3H-PYRROLO[2,3-D]PYRIMIDINE;NCIOpen2_000244;SCHEMBL102201;6-Chloro-7-deazapurine, 97%;CHEMBL2133071;DTXSID70190280;AM946;HMS3085B16;4-chloro-pyrrolo[2,3-d]pyrimidine;BCP01366;CS-B0456;BBL104430;CL3424;STK506211;4-chloro-7hpyrrolo[2,3-d]pyrimidine;4chloro-7H-pyrrolo[2,3-d]pyrimidine;AKOS005070307;AKOS015966378;4-chloro-7H-pyrrolo[2,3-d]primidine;AC-2838;GS-6804;PB12763;4-chloro-1H-pyrrolo-[2,3-d]pyrimidine;4-chloro-7h-pyrrolo[2,3-d] pyrimidine;4-chloro-7H-pyrrolo[2,3-d]-pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyr-imidine;AS-31013;SMR001559448;SY003080;4-Chloro-7H-pyrrolo[2,3-d]pyrimidine #;LS-139562;A6334;C2306;FT-0601986;EN300-56508;3Z-0603;Q-200553;F5608-0080;Z857668178

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

Supply Marketing:Edit

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

Usbiological
6-Chloro-7-deazapurine
1g
$ 319.00

TRC
6-Chloro-7-deazapurine
100g
$ 600.00

TRC
6-Chloro-7-deazapurine
25g
$ 190.00

TCI Chemical
6-Chloro-7-deazapurine >98.0%(GC)(T)
5g
$ 393.00

TCI Chemical
6-Chloro-7-deazapurine >98.0%(GC)(T)
1g
$ 126.00

SynChem
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 95+%
1 g
$ 20.00

SynChem
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 95+%
5 g
$ 60.00

Sigma-Aldrich
6-Chloro-7-deazapurine 97%
1g
$ 116.00

Medical Isotopes, Inc.
6-Chloro-7-deazapurine
250 mg
$ 840.00

Matrix Scientific
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 98%
25g
$ 47.00

Total 270 raw suppliers

Chemical Property of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Edit

Chemical Property:

Appearance/Colour:light brown to brown crystalline powder
Vapor Pressure:0Pa at 25℃
Melting Point:183-184 °C
Boiling Point:325.9 °C at 760 mmHg
PKA:11.42±0.20(Predicted)
Flash Point:180.7 °C
PSA：41.57000
Density:1.531 g/cm³
LogP:1.61130
Storage Temp.:Room temperature.
Solubility.:Soluble in DMSO, ethyl acetate and methanol.
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:153.0093748
Heavy Atom Count:10
Complexity:130

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-7-deazapurine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,T,Xn
Hazard Codes:Xi,T,Xn
Statements: 36/37/38-25-20/21/22
Safety Statements: 26-37-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CNC2=C1C(=NC=N2)Cl
Chemical Composition and Structure 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is a chemical compound belonging to the pyrrolopyrimidine class.
Uses Medical Applications:
Used as a pharmaceutical intermediate for synthesizing drugs targeting specific biological activities, such as tofacitinib, which is used to treat rheumatoid arthritis.

Organic Synthesis:
Acts as an intermediate in organic synthesis, facilitating the construction of complex molecular structures for various applications.
Production Methods Synthesized through various chemical methods, including acid-mediated nucleophilic substitution reactions and alkylation reactions, using commercially available starting materials. Microwave-assisted techniques and Cu-catalyzed N-arylation have been employed to introduce diverse substituents efficiently.
Analysis Method The synthesis of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine derivatives involves standard laboratory techniques, including refluxing, thin-layer chromatography (TLC) monitoring, and recrystallization for purification. NMR spectroscopy and high-resolution mass spectrometry (HRMS) are used for structural characterization and confirmation of synthesized compounds.

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

There total 30 articles about 4-Chloro-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: 95.0%