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CAS No.: | 52853-40-4 |
---|---|
Name: | 6-BROMOMETHYL-PTERIDINE-2,4-DIAMINE HBR |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H8Br2N6 |
Molecular Weight: | 335.989 |
Synonyms: | 2,4-Pteridinediamine,6-(bromomethyl)-, monohydrobromide (9CI);2,4-Diamino-6-(bromomethyl)pteridinehydrobromide;6-(Bromomethyl)-2,4-diaminopteridine hydrobromide;6-(Bromomethyl)-2,4-pteridinediamine hydrobromide; |
EINECS: | 692-499-2 |
Melting Point: | >195 °C (dec.) |
Boiling Point: | 524.7 °C at 760 mmHg |
Flash Point: | 271.1 °C |
Appearance: | light brown solid |
PSA: | 103.60000 |
LogP: | 2.59960 |
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
Stage #1: β-bromopyruvaldoxime; 2,4,5,6-tetraminopyrimidine dihydrobromide In methanol for 2h; Heating / reflux; Stage #2: With ammonia at 20℃; for 2h; Product distribution / selectivity; | 88% |
3-bromoacetonaldoxime
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
In methanol for 2h; Heating / reflux; | 88% |
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
With dibromotriphenylphosphorane In dimethylacetamide (DMAC) at 20 - 25℃; for 2h; Product distribution / selectivity; | 49% |
With dibromotriphenylphosphorane In ISOPROPYLAMIDE at 10 - 25℃; for 2h; | 42% |
2,4-diamino-6-(hydroxymethyl)pteridine
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
With bromine; triphenylphosphine In N,N-dimethyl acetamide at 25℃; for 18h; | |
With hydrogen bromide; acetic acid at 20℃; for 48h; | |
With triphenylphosphine dibromide; N,N-dimethyl acetamide at 20℃; for 200h; |
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
With ammonium hydroxide; hydrogen bromide; bromine; triphenylphosphine In ethanol; N,N-dimethyl acetamide; water; acetic acid; benzene |
diethyl ether
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
With sodium hydroxide; bromine; triphenylphosphine In methanol; glacial AcOH; P2 O5; ethanol |
6-bromomethyl-2,4-diaminopteridine hydrobromide
N2-<4-(methylamino)benzoyl>-Nω-<(1,1-dimethylethoxy)carbonyl>-2,ω-diaminopentanoic acid
N2-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-N5-<(1,1-dimethylethoxy)carbonyl>-2,5-diaminopentanoic acid
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide at 20 - 25℃; for 120h; | 95% |
6-bromomethyl-2,4-diaminopteridine hydrobromide
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide at 65℃; for 5h; | 93% |
dicyanomethyl N-[4-(methylamino)benzoyl]-L-glutamic acid
6-bromomethyl-2,4-diaminopteridine hydrobromide
dicyanomethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate
Conditions | Yield |
---|---|
In water at 58 - 62℃; for 1h; pH=2.4; | 87% |
6-bromomethyl-2,4-diaminopteridine hydrobromide
α-tert-butyl-N-[4-(methylamino)benzoyl]-L-glutamate
(S)-5-(tert-butoxy)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 31h; | 86% |
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The 2, 4-Pteridinediamine, 6-(bromomethyl)-, hydrobromide (1:1), with the CAS registry number 52853-40-4, is also known as 6-Bromomethyl-pteridine-2, 4-diamine HBr. It belongs to the product categories of Aromatics Compounds ;Aromatics; Bases & Related Reagents; Inhibitors; Nucleotides. This chemical's molecular formula is C7H8Br2N6 and molecular weight is 335.98662. What's more, its IUPAC name is 6-(Bromomethyl)pteridine-2, 4-diamine hydrobromide.
Physical properties about 2, 4-Pteridinediamine, 6-(bromomethyl)-, hydrobromide (1:1) are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 103.6 Å2; (7)Flash Point: 271.1 °C; (8)Enthalpy of Vaporization: 82.27 kJ/mol; (9)Boiling Point: 524.7 °C at 760 mmHg; (10)Vapour Pressure: 1.6E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Br.Nc2nc(N)nc1ncc(nc12)CBr
(2) InChI: InChI=1/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H
(3) InChIKey: KMQIBGKVZDBGAH-UHFFFAOYAD