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DEAZAPURINE

DEAZAPURINE structure

CAS No:
271-70-5
Formula:
C6H5N3
Chemical Name:
DEAZAPURINE
Synonyms:
NSC94210;DEAZAPURINE;7-Deazapurine;Pyrrolo[2,3-d]pyriMidine;7H-PYRROLO[2,3-D]PYRIMIDINE;3H-Pyrrolo[2,3-d]pyrimidine;1H-Pyrrolo[2,3-d]pyrimidine;1H-Pyrrolo[2,3-d]pyrimidi...;1H-Pyrrolo[2,3-d]pyrimidine(8CI,9CI)
Categories:
Chemical Reagents > Organic Reagents

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DEAZAPURINE Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.048347

NSC Number：

94210

DSSTox ID：

DTXSID60294089

HScode：

2933990090

Characteristics

PSA：

41.6

XLogP3：

0.7

Density：

1.3±0.1 g/cm3

Melting Point：

133ºC

Boiling Point：

288.3°C at 760 mmHg

Flash Point：

141.8±12.8 °C

Refractive Index：

1.715

Vapor Pressure：

0.00409mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

pyrrolo(2,3-d)Py

DEAZAPURINE Use and Manufacturing

As shown in Figure 1-step i, 4-chloro-7H-pyrrolo[2, 3-d]pyrimidine(compound 1001) (130 mg, 0.847 mmol) was dissolved in 3 mL of methanol and hydrogenated under 1 atm of hydrogen over Pd-C 10percent for 16 hours. Concentration to dryness provided 100 mg (98percent) of 7H-pyrrolo[2, 3-d ]pyrimidine [compound 1002, (R)-6-Pyrrolidin-2-ylmethyl-7H-pyrrolo[2, 3-d]pyrimidine.(Compound 95) Example 3 As shown in Figure 1-step i, 4-chloro-7H-pyrrolo[2, 3-d]pyrimidine(compound 1001) (130 mg, 0.847 mmol) was dissolved in 3 mL of methanol and hydrogenated under 1 atm of hydrogen over Pd-C 10% for 16 hours. Concentration to dryness provided 100 mg (98%) of 7H-pyrrolo[2, 3-d ]pyrimidine [compound 1002, 1H-NMR(CD3OD): delta 9.4 (s, IH); 9.1 (s, IH); 7.9 (s, IH); 7.1 (s, IH)].(R)-6-Pyrrolidin-2-ylmethyl-7H-pyrrolo[2, 3-d]pyrimidine.(Compound 95) Commercially available 6-chloro-7-deazapurine (1.58 g, 10.3 mmol), 3.25 g ammonium formate (51.6 mmol) and 20% Pd(OH)2/C (140 mg) were combined in MeOH (50 ml) and warmed to reflux for 2 hours. The mixture was cooled, filtered, concentrated and re-dissolved in MeOH. Filtration over 25 g SCX-2 (MeOH followed by 1 N NH3/MeOH), followed by flash chromatography (ethyl acetate/MeOH (9/1)) afforded compound 90 (1.2 g, 4.02 mmol, 97%) amorphous material. 1H-NMR (400 MHz, CDCl3): delta 11.1 (bs, 1H), 9.1 (bs, 1H), 9.0 (bs, 1H), 7.45-7.40 (m, 1H), 6.68-6.62 (m, 1H).Synthesis of compound 5B-1; Compound 5B-2 (5 g, 32.6 mmol) was dissolved in MeOH (100 mL), 10%Pd/C was added. The reaction was stirred under H2 at room temperature for overnight. The reaction was filtered, and concentrated. The crude product (compound 5B-1) was used directly in the next step (3.88 g).EXAMPLE 38 3.53 g (9.0 mmol) of 4-(3-chloroanilino)-6-(4-ethoxycarbonylphenyl)-

Computed Properties

Molecular Weight:119.12
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:119.048347172
Monoisotopic Mass:119.048347172
Topological Polar Surface Area:41.6
Heavy Atom Count:9
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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7H-Pyrrolo[2,3-d]pyrimidine

CAS No.: 271-70-5

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CAS No.: 271-70-5

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Content: 99%

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