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2-Amino-4,6-dichloro-5-formylpyrimidine

2-Amino-4,6-dichloro-5-formylpyrimidine structure

CAS No:
5604-46-6
Formula:
C5H3Cl2N3O
Chemical Name:
2-Amino-4,6-dichloro-5-formylpyrimidine
Synonyms:
2-amino-4,6-dichloro-5-pyrimid;2-AMINO-4,6-DICHLOROPYRIMIDINE-5-CARBOX&;2-AMINO-4,6-DICHLORO-5-FORMYL-PYRIMIDINE;2-AMINO-4,6-DICHLORO-5-PYRIMIDINECARBALDEHYDE;2-AMINO-4,6-DICHLORO-PYRIMIDINE-5-CARBALDEHYDE;2-AMINO-4,6-DICHLOROPYRIMIDINE-5-CARBOXALDEHYDE;2-aMino-4,6-dichloropyridiMidine-5-carbaldehyde;2-amino-4,6-dichloro-5-pyrimidinecarboxaldehyde;2-azanyl-4,6-dichloro-pyrimidine-5-carbaldehyde;2--4,6- two-5- forMaldehydeaMinochloro pyriMidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White solid

2-Amino-4,6-dichloro-5-formylpyrimidine Basic Attributes

Molecular Weight：

192

Exact Mass：

190.965317

EC Number：

1806241-263-5

NSC Number：

101680

DSSTox ID：

DTXSID20295395

HScode：

2933599090

Characteristics

PSA：

68.9

XLogP3：

1.2

Appearance：

yellow solid

Density：

1.7±0.1 g/cm3

Melting Point：

208-224 °C

Boiling Point：

411.6°C at 760 mmHg

Flash Point：

202.7±31.5 °C

Refractive Index：

1.685

Storage Conditions：

2-8°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38-43

safety instructions：

26-36/37

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H317-H319-H335

GHS Classification：

|Warning|H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Amino-4,6-dichloro-5-formylpyrimidine Use and Manufacturing

Methods of Manufacturing

A solution of 2-amino-4, 6-dihydroxypyrimidine (12.5 g, 100 mmol) in 75 mL of POCl3 and 17.5 mL of anhydrous DMF was stirred at room temperature for 10 min., Nitrogen purged, refluxed at 105 ° C for 1.5 h, The mixture was stirred for 2 h at 50 ° C, filtered, washed with water and ethyl acetate, and dried in vacuo to give 11.0 g of a pale yellow solid in 57.6percent yield. The solvent was evaporated under reduced pressure, .To an ice-cold stirred solution of POClDMF (2.4 mL, 31.5 mmol) was slowly added dropwise to phosphorus oxychloride (7.5 mL, 81.9 mmol) at 5-10 °C, followed by the slow addition of 2-amino-4, 6-dihydroxypyrimidine (2 g, 15.74 mmol), stirred at rt for 30min, refluxed for 24h, cooled toroom temperature, the reaction solution was slowly poured into 100mL of ice water, stirred for 1h after standing overnight, filtered off with suction, washed with ice water and ethyl acetate werewash filter cake Recrystallization gave 2.44 g of a pale yellow solid, yield 81.3percent

Uses

Substrate used in the synthesis of an N-terminal surrogate in amino acid and peptide analogues.1

Computed Properties

Molecular Weight:192.00
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:190.9653171
Monoisotopic Mass:190.9653171
Topological Polar Surface Area:68.9
Heavy Atom Count:11
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5604-46-6

Content: 99.00%

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2-Amino-4,6-dichloro-pyrimidine-5-carbaldehyde 99% Powder Professional Producer Greenbo

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Guide of 2-Amino-4,6-dichloro-5-formylpyrimidine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Amino-4,6-dichloro-5-formylpyrimidine

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