5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine
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5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine
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CAS No:
23676-63-3
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Formula:
C8H14N4O
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Chemical Name:
5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine
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Synonyms:
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide;N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide;5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine;Acetamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]acetamide;Acetamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-;5-(Acetylaminomethyl)-4-amino-2-methylpyrimidine;SCHEMBL11131427;CTK4F2024;DTXSID10342988
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CAS No:
5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine Basic Attributes
182.22296
180.10100
DTXSID10342988
2933599090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine Use and Manufacturing
In the solution of sodium methoxide and methanol, α-dimethoxymethyl-β-methoxypropionitrile reacts with acetamidine hydrochloride to form a bicyclic compound, which is then hydrolyzed under stirring. The process is as follows: In the reaction tank Add sodium methoxide solution and anhydrous methanol, dilute to about 22%, cool to 10-15°C, add ethyl formate, α-dimethoxymethyl-β-methoxypropionitrile, and acetamidine hydrochloride in sequence. After feeding, the internal temperature will automatically drop to about -10℃, and then gradually increase, control to rise to 12℃ in the first hour, to 24℃ in the second hour, 66℃ in the third hour, reflux at 66-70℃ for 1h, and recover methanol (First normal pressure, then decompression). After recovery, add water and distill off low boilers under reduced pressure. Then hydrolyze at 98-100°C for 40 minutes, cool to below 0-5°C, and filter to obtain the product. Raw material consumption quota: α-dimethoxymethyl-β-methoxypropionitrile (purity 94%) 1300kg/t, acetamidine hydrochloride (90%) 2600kg/t, sodium methoxide (27%) 4500kg/t, Methanol (99.5%) 1500kg/t.
Used as an intermediate for vitamin B1, other APIs
Computed Properties
Molecular Weight:180.21
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.10111102
Monoisotopic Mass:180.10111102
Topological Polar Surface Area:80.9
Heavy Atom Count:13
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine
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