6-(Bromomethyl)-2,4-pteridinediamine hydrobromide supplier

Name
6-BROMOMETHYL-PTERIDINE-2,4-DIAMINE HBR
EINECS 692-499-2
CAS No. 52853-40-4
Article Data7
CAS DataBase
Density
Solubility
Melting Point >195 °C (dec.)
Formula C₇H₈Br₂N₆
Boiling Point 524.7 °C at 760 mmHg
Molecular Weight 335.989
Flash Point 271.1 °C
Transport Information
Appearance light brown solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 103.60000
LogP 2.59960

Synthetic route

: β-bromopyruvaldoxime

: 2,4,5,6-tetraminopyrimidine dihydrobromide

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

Conditions

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%

: 37150-52-0
3-bromoacetonaldoxime

: 2,4,5,6-tetraminopyrimidine dihydrobromide

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

Conditions

Conditions	Yield
In methanol for 2h; Heating / reflux;	88%

: 2,4-diamino-6-hydroxymethylpteridine hydrobromide

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

Conditions

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%

: 945-24-4
2,4-diamino-6-(hydroxymethyl)pteridine

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

Conditions

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-hydroxymethylpteridine hydrobromide

: 73978-41-3
2,4-diamino-6-(hydroxymethyl)pteridine hydrochloride

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen bromide; bromine; triphenylphosphine In ethanol; N,N-dimethyl acetamide; water; acetic acid; benzene

2,4-diamino-6-pteridinemethanol.HRr: 2,4-diamino-6-pteridinemethanol.HRr

: 60-29-7
diethyl ether

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

Conditions

Conditions	Yield
With sodium hydroxide; bromine; triphenylphosphine In methanol; glacial AcOH; P2 O5; ethanol

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 96845-99-7
N2-<4-(methylamino)benzoyl>-Nω-<(1,1-dimethylethoxy)carbonyl>-2,ω-diaminopentanoic acid

: 96846-16-1
N2-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-N5-<(1,1-dimethylethoxy)carbonyl>-2,5-diaminopentanoic acid

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 20 - 25℃; for 120h;	95%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: N-{4-[(2,3-Dihydro-1H-indole-5-carbonyl)-amino]-4-methoxycarbonyl-butyl}-terephthalamic acid methyl ester

: N-(4-{[1-(2,4-Diamino-pteridin-6-ylmethyl)-2,3-dihydro-1H-indole-5-carbonyl]-amino}-4-methoxycarbonyl-butyl)-terephthalamic acid methyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 65℃; for 5h;	93%

: 1379609-56-9
dicyanomethyl N-[4-(methylamino)benzoyl]-L-glutamic acid

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 1379609-57-0
dicyanomethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate

Conditions

Conditions	Yield
In water at 58 - 62℃; for 1h; pH=2.4;	87%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 511544-87-9
α-tert-butyl-N-[4-(methylamino)benzoyl]-L-glutamate

: 79640-70-3
(S)-5-(tert-butoxy)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 31h;	86%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: Nα-<4-(N-methylamino)benzoyl>-Nδ-<1-ethoxycarbonyl-3,3-bis(diethylphosphono)propyl>glutamine benzyl ester

: Nα-<4-amino-4-deoxy-N-10-methylpteroyl>-Nδ-<1-ethoxycarbonyl-3,3-bis(diethylphosphono)propyl>glutamine benzyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 50℃; for 4h;	80%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 95755-25-2
2-Fluoro-4-(4-methylamino-benzoylamino)-pentanedioic acid diisopropyl ester

: 95772-55-7
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-fluoro-pentanedioic acid diisopropyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 55℃; for 10h;	79.1%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 96845-97-5
N2-<4-(methylamino)benzoyl>-Nω-<(1,1-dimethylethoxy)carbonyl>-2,ω-diaminopropanoic acid ethyl ester

: 96846-12-7
(S)-3-tert-Butoxycarbonylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-propionic acid ethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide for 144h;	79%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 96845-98-6
(S)-4-tert-Butoxycarbonylamino-2-(4-methylamino-benzoylamino)-butyric acid ethyl ester

: 96846-13-8
(S)-4-tert-Butoxycarbonylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid ethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide for 144h;	79%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 83816-96-0
(S)-2-((S)-4-Carboxy-4-{(S)-4-carboxy-4-[(S)-4-carboxy-4-(4-methylamino-benzoylamino)-butyrylamino]-butyrylamino}-butyrylamino)-pentanedioic acid

: 73610-81-8
N-methylamino>benzoyl>-L-γ-glutamyl>-L-γ-glutamyl>-L-γ-glutamyl>-L-γ-glutamic acid

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 25℃; for 144h;	78%

: 256-96-2
dibenzoazepine

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: N-[(2,4-diaminopteridin-6-yl)methyl]dibenz[b,f]azepine

Conditions

Conditions	Yield
Stage #1: dibenzoazepine With sodium hydride In tetrahydrofuran for 0.166667h; Metallation; Stage #2: 6-bromomethyl-2,4-diaminopteridine hydrobromide In tetrahydrofuran at 20℃; for 12h; Alkylation;	78%
Stage #1: dibenzoazepine With sodium hydride In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: 6-bromomethyl-2,4-diaminopteridine hydrobromide In tetrahydrofuran at 20℃; Product distribution / selectivity;	17%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 95485-08-8
α-methyl γ-tert-butyl N--L-glutamate

: 79640-68-9
α-methyl γ-tert-butyl N-(4-amino-4-deoxy-N10-methylpteroyl)-L-glutamate

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 55℃; for 6h;	75%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 45℃; for 48h; Yield given;

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 2-[(2,3-Dihydro-1H-indole-5-carbonyl)-amino]-5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid methyl ester

: 2-{[1-(2,4-Diamino-pteridin-6-ylmethyl)-2,3-dihydro-1H-indole-5-carbonyl]-amino}-5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid methyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 65℃; for 5h;	75%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 146464-90-6
α-propargylhomoterephthalic acid dimethyl ester

: 1548618-47-8
10-propargyl-10-carbomethoxy-4-deoxy-4-amino-10-deazapteroic acid methyl ester hydrobromide salt

Conditions

Conditions	Yield
Stage #1: 6-bromomethyl-2,4-diaminopteridine hydrobromide; α-propargylhomoterephthalic acid dimethyl ester With sodium hydride In N,N-dimethyl acetamide at -20 - -10℃; Stage #2: With hydrogen bromide In methanol; dichloromethane; water; isopropyl alcohol at 0 - 5℃; Concentration;	73.7%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 59212-10-1
2-amino-6-(bromomethyl)-4(1H)-pteridinone hydrobromide

Conditions

Conditions	Yield
With hydrogen bromide at 90 - 95℃; for 0.5h;	72%

: 88878-78-8
tyrosine tert-butyl ester

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 2-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid tert-butyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide	71%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 147938-30-5
Nα-<4-(methylamino)benzoyl>-Nδ-<2,2-bis(diethylphosphono)ethyl>glutamine ethyl ester

: 147938-31-6
Nα-<4-<(<2,4-diamino-6-pteridinyl>methyl)methylamino>benzoyl>-Nδ-<2,2-bis(diethylphosphono)ethyl>glutamine ethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 50℃; for 4h;	70%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 108-95-2
phenol

: 57963-57-2
6-phenoxymethyl-pteridine-2,4-diamine

Conditions

Conditions	Yield
With NaH	70%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 120355-34-2
tetraethyl 3-ethoxycarbonyl-N-<4-(methylamino)benzoyl>-3-aminopropylidene-1,1-bisphosphonate

: 120368-87-8
tetraethyl N-(4-<(<2,4-diamino-6-pteridinyl>methyl) methyl-amino>benzoyl)-3-amino-3-ethoxycarbonylpropylidene-1,1-bisphosphonate

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 50℃; for 4h;	68%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 96846-06-9
(S)-2-(4-Methylamino-benzoylamino)-3-ureido-propionic acid

: 96846-09-2
(S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-3-ureido-propionic acid

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 20 - 25℃; for 120h;	68%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 142166-04-9
(S)-2-[(3,4-Dihydro-2H-benzo[1,4]oxazine-7-carbonyl)-amino]-hexanedioic acid dimethyl ester

: 142166-37-8
(S)-2-{[4-(2,4-Diamino-pteridin-6-ylmethyl)-3,4-dihydro-2H-benzo[1,4]oxazine-7-carbonyl]-amino}-hexanedioic acid dimethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 60℃; for 4h;	68%

: 4271-30-1
N-(4-aminobenzoyl)-L-glutamic acid

: 7732-18-5
water

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 54-62-6
aminopterin

Conditions

Conditions	Yield
In ethanol	68%

...Expand

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 83816-95-9
(S)-2-{(S)-4-Carboxy-4-[(S)-4-carboxy-4-(4-methylamino-benzoylamino)-butyrylamino]-butyrylamino}-pentanedioic acid

: 41600-14-0
N-methylamino>benzoyl>-L-γ-glutamyl>-L-γ-glutamyl>-L-γ-glutamic acid

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 25℃; for 144h;	67%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 82318-20-5
diethyl N-<4-(octylamino)benzoyl>-L-glutamate

: 82318-22-7
diethyl N-<4-<<(2,4-diamino-6-pteridinyl)methyl>octylamino>benzoyl>-L-glutamate

Conditions

Conditions	Yield
In N,N-dimethyl acetamide 1.) from 50 to 55 deg C, 6 h, 2.) 25 deg C, 18 h;	67%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 153304-72-4
(S)-2-[(7-Methyl-2,3-dihydro-1H-indole-5-carbonyl)-amino]-hexanedioic acid dimethyl ester

: (S)-2-{[1-(2,4-Diamino-pteridin-6-ylmethyl)-7-methyl-2,3-dihydro-1H-indole-4-carbonyl]-amino}-hexanedioic acid dimethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 55 - 65℃; for 4h;	66%

: 84228-46-6
4-amino-2-nitrobenzoic acid ethyl ester

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 1355481-24-1
ethyl 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}-2-nitrobenzoate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃; for 5h; Inert atmosphere;	66%

: methyl 1-(4-amino-2-ethylbenzoyl)piperidine-4-carboxylate

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: C23H28N8O3

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 20℃; for 168h;	65%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: 142165-65-9
diethyl N-(indolin-5-carbonyl)-L-glutamate

: 142166-12-9
diethyl N-[1-[(2,4-diamino-6-pteridinyl)methyl]indolin-5-carbonyl]-L-glutamate

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 65℃; for 5h;	63%

: 52853-40-4
6-bromomethyl-2,4-diaminopteridine hydrobromide

: Nα-<4-(N-methylamino)benzoyl>-Nδ-<1,1-bis(diethylphosphono)methyl>glutamine benzyl ester

: Nα-<4-amino-4-deoxy-N-10-methylpteroyl>-Nδ-<1,1-bis(diethylphosphono)methyl>glutamine benzyl ester

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 50℃; for 4h;	62%

6-(Bromomethyl)-2,4-pteridinediamine hydrobromide Specification

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

Product Name

6-BROMOMETHYL-PTERIDINE-2,4-DIAMINE HBR

Synthetic route

6-(Bromomethyl)-2,4-pteridinediamine hydrobromide Specification

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