6-Bromopurine supplier | CasNO.767-69-1

Name
6-Bromopurine
EINECS 212-187-8
CAS No. 767-69-1
Density 2.036 g/cm³
Solubility
Melting Point >300 °C(lit.)
Formula C₅H₃BrN₄
Boiling Point 472.8 °C at 760 mmHg
Molecular Weight 199.01
Flash Point 239.7 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Purine,6-bromo- (9CI);Purine, 6-bromo- (6CI,7CI,8CI);6-Bromopurine;NSC 45150;
PSA 54.46000
LogP 1.11540

Synthetic route

: 110-87-2
3,4-dihydro-2H-pyran

: 767-69-1
6-bromopurine

: 381246-26-0
6-bromo-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In chloroform at 0 - 20℃; for 1h;	98%
toluene-4-sulfonic acid In chloroform at 0 - 20℃; for 18h;	94%

: 767-69-1
6-bromopurine

: 5404-86-4
6-hydrazinyl-7H-purine

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 0.5h; Heating;	93%

: rac-ethyl 5-((tert-butoxycarbonyl)oxy)cyclopent-1-ene-1-carboxylate

: 767-69-1
6-bromopurine

: (R)-ethyl 5-(6-bromo-9H-purin-9-yl)cyclopent-1-ene-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 6-bromopurine With tris-(dibenzylideneacetone)dipalladium(0); (S,S)-[2-(4'-isopropyloxazolin-2'-yl)ferrocenyl]diphenylphosphine; α-naphthol; potassium carbonate In toluene at 20℃; for 0.5h; Inert atmosphere; Stage #2: rac-ethyl 5-((tert-butoxycarbonyl)oxy)cyclopent-1-ene-1-carboxylate In toluene at 0℃; for 72h; Inert atmosphere; enantioselective reaction;	93%

: 5609-09-6, 69668-88-8, 1119-44-4
3-hepten-2-one

: 767-69-1
6-bromopurine

: 1438428-57-9
C12H15BrN4O

Conditions

Conditions	Yield
With 1-((1R,2R)-2-aminocyclohexyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea; benzoic acid In toluene at 25℃; for 48h; Catalytic behavior; Temperature; Michael Addition; enantioselective reaction;	89%

: 767-69-1
6-bromopurine

: 15397-15-6
1,2,3,5-tetra-O-benzoyl-2-C-methyl-β-D-ribofuranose

: 622379-84-4
C32H25BrN4O7

Conditions

Conditions	Yield
Stage #1: 6-bromopurine With N,O-bis-(trimethylsilyl)-acetamide In acetonitrile at 90℃; for 0.75h; Stage #2: 1,2,3,5-tetra-O-benzoyl-2-C-methyl-β-D-ribofuranose With trimethylsilyl trifluoromethanesulfonate In acetonitrile at 90℃; for 3.5h;	87%

: 1262441-50-8
2-(1-aminopropyl)-3-iodo-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

: 767-69-1
6-bromopurine

: 1262441-51-9
3-iodo-6-methyl-2-[1-(9H-purin-6-ylamino)propyl]-4H-pyrido[1,2-a]pyrimidin-4-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol Reflux; Inert atmosphere;	82.5%

: 767-69-1
6-bromopurine

: 75-50-3
trimethylamine

: 6-Bromo-9H-purine; compound with trimethyl-amine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Ambient temperature;	80%

: 1403942-64-2
(S)-3-phenyl-2-(pyrrolidin-2-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one

: 767-69-1
6-bromopurine

: 1403946-84-8
(S)-2-(1-(9H-purin-6-yl)pyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃;	80%

: 767-69-1
6-bromopurine

: 74-88-4
methyl iodide

: 376628-24-9
6-bromo-7-methyl-7H-purine

Conditions

Conditions	Yield
Stage #1: 6-bromopurine With 2,2,6,6-tetramethylpiperidinylmagnesium chloride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran at 25℃; for 20h; Inert atmosphere;	80%

: 870281-86-0
(S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

: 767-69-1
6-bromopurine

: CAL-101

Conditions

Conditions	Yield
With sodium acetate; acetic acid In isopropyl alcohol at 80℃; for 18h;	78%
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol

: 767-69-1
6-bromopurine

: 1056246-36-6
2-bromocyclopentanone

: 2-(6-bromo-9H-purin-9-yl)cyclopentan-1-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 24h;	71%

: 18908-66-2
2-ethylhexyl bromide

: 767-69-1
6-bromopurine

: 6-bromo-9-ethylhexylpurine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 24h;	68%

: 58070-00-1
diethyl 3-(phenyl)oxirane-2,2-dicarboxylate

: 767-69-1
6-bromopurine

: diethyl 2-((6-bromo-9H-purin-9-yl)(phenyl)methoxy)malonate

Conditions

Conditions	Yield
With yttrium(III) trifluoromethanesulfonate In 1,2-dichloro-ethane at 80℃; for 10h; Molecular sieve; Sealed tube; regioselective reaction;	67%

: 767-69-1
6-bromopurine

: 50-89-5
thymidine

: 6-bromo-9-(2-deoxy-β-D-erythro-pentofuranosyl)purine

Conditions

Conditions	Yield
With Lactobacillus animalis ATCC 35046 2’-N-deoxyribosyltransferase immobilized in DEAE-Sepharose In aq. buffer at 30℃; pH=7; Green chemistry; Enzymatic reaction;	61%

: (S)-2-(1-amino-1-d-propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

: 767-69-1
6-bromopurine

: (S)-2-(1-(9H-purin-6-yl-amino)-1-d-propyl)-5-fluoro-3-phenylquinazoline-4(3H)-ketone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃; for 30h;	60%

: 100-39-0
benzyl bromide

: 767-69-1
6-bromopurine

A: 6-bromo-7-(phenylmethyl)-7H-purine

B: 869683-37-4
6-bromo-9-(phenylmethyl)-9H-purine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 16h;	A 17% B 59%

...Expand

: 1312585-53-7
1-[3-(3,5-difluorophenyl)-5-methylimidazo[1,2-a]pyridin-2-yl]ethanamine

: 767-69-1
6-bromopurine

: 1312585-13-9
N-{1-[3-(3,5-difluorophenyl)-5-methylimidazo[1,2-a]pyridin-2-yl]ethyl}-9H-purin-6-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol at 90℃; for 18h;	58%

: 1312685-75-8
1-[8-(4-{[tert-butyl(dimethyl)silyl]oxy}piperidin-1-yl)-5-chloroquinolin-7-yl]ethanamine

: 767-69-1
6-bromopurine

: 1312685-76-9
N-{1-[8-(4-{[tert-butyl(dimethyl)silyl]oxy}piperidin-1-yl)-5-chloroquinolin-7-yl]ethyl}-9H-purin-6-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol Reflux; Inert atmosphere;	57%

: 767-69-1
6-bromopurine

: 71962-74-8
Ethyl nipecotate

: ethyl 1-(9H-purin-6-yl)piperidine-3-carboxylate

Conditions

Conditions	Yield
With potassium phosphate; bis(tri-t-butylphosphine)palladium(0) In N,N-dimethyl acetamide at 100℃;	55%

: 35143-11-4
(RS)-2,3-dihydro-1,4-benzoxathiin-2-methanol

: 767-69-1
6-bromopurine

A: 1020397-97-0
(RS)-6-bromo-9-(2,3-dihydro-1,4-benzoxathiin-3-ylmethyl)-9H-purine

B: 1335000-20-8
(RS)-6-bromo-9-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-9H-purine

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 140℃; for 0.0833333h; Mitsunobu reaction; Microwave irradiation;	A 6% B 54%

...Expand

: 1339200-58-6
(R,S)-3-(3,4-dihydro-2H-1,5-benzoxathiepine-3-yloxy)propane-1-ol

: 767-69-1
6-bromopurine

: 1339200-73-5
(R,S)-6-bromo-9-[3-(3,4-dihydro-2H-1,5-benzoxathiepine-3-yloxy)-propyl]-9H-purine

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 140℃; for 0.0833333h; Inert atmosphere; Cooling with ice; Microwave irradiation;	53%

: 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

: 767-69-1
6-bromopurine

: 6-(3,5-difluorophenyl)-3-methyl-7-[1-(9H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Conditions

Conditions	Yield
Stage #1: 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; 6-bromopurine With N-ethyl-N,N-diisopropylamine In ethanol at 110℃; Stage #2: With ammonium hydroxide	51%

: 1393176-14-1
(S)-1-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)ethanamine

: 767-69-1
6-bromopurine

: 1393180-50-1
(S)-N-(1-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl)-9H-purin-6-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃; for 72h;	50%
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃; for 72h;	50%

: 1403942-28-8
racemic 2-(1-aminopropyl)-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one

: 767-69-1
6-bromopurine

: 1404199-25-2
racemic 2-(1-(9H-purin-6-ylamino)propyl)-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃; for 40h;	50%
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃; for 40h;	50%

: 1404085-15-9
(S)-3-phenyl-2-(pyrrolidin-2-yl)-3H-imidazo[4,5-b]pyridine

: 767-69-1
6-bromopurine

: 1404086-36-7
(S)-6-(2-(3-Phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl)-9H-purine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃;	49%
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 80℃;	49%

: 767-69-1
6-bromopurine

: 13035-61-5
1,2,3,5-tetraacetylribose

: 74465-47-7
(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-bromo-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate

Conditions

Conditions	Yield
With N,O-bis-(trimethylsilyl)-acetamide; trimethylsilyl trifluoromethanesulfonate In 1,2-dichloro-ethane at 60℃; for 5h; Vorbruggen nucleosidation reaction; Inert atmosphere;	47%

: 1262441-70-2
(S)-7-(1-aminoethyl)-6-(3-fluorophenyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one

: 767-69-1
6-bromopurine

: 76-05-1
trifluoroacetic acid

: (S)-7-(1-(9H-purin-6-ylamino)ethyl)-6-(3-fluorophenyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one trifluoroacetate

Conditions

Conditions	Yield
Stage #1: (S)-7-(1-aminoethyl)-6-(3-fluorophenyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-bromopurine With N-ethyl-N,N-diisopropylamine In ethanol for 17h; Inert atmosphere; Reflux; Stage #2: trifluoroacetic acid	45.8%

...Expand

: 1403942-17-5
(S)-2-(1-aminopropyl)-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one

: 767-69-1
6-bromopurine

: 1403945-93-6
(S)-2-(1-(9H-purin-6-ylamino)propyl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 100℃; for 40h;	45%
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 100℃; for 40h;	45%

: 1403942-30-2
(S)-2-(1-aminoethyl)-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one

: 767-69-1
6-bromopurine

: 1403946-02-0
(S)-2-(1-(9H-purin-6-ylamino)ethyl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 100℃; for 40h;	45%
With N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 100℃; for 40h;	45%

: 7-(1-aminoethyl)-6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

: 767-69-1
6-bromopurine

: 6-(3-fluorophenyl)-3-methyl-7-[1-(9H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Conditions

Conditions	Yield
Stage #1: 7-(1-aminoethyl)-6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; 6-bromopurine With N-ethyl-N,N-diisopropylamine In ethanol at 110℃; Stage #2: With ammonium hydroxide	44%

6-Bromopurine Specification

The 6-Bromopurine with the CAS number 767-69-1 is also called 9H-Purine, 6-bromo-. Both the systematic name and IUPAC name are 6-bromo-7H-purine. Its molecular formula is C₅H₃BrN₄. The molecular formula is 212-187-8. This chemical belongs to the following product categories: (1)Purines; (2)Building Blocks; (3)Halogenated Heterocycles; (4)Heterocyclic Building Blocks; (5)PurinesHeterocyclic Building Blocks.

The properties of the 6-Bromopurine are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.53; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 47.02; (8)ACD/KOC (pH 7.4): 34.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 40.49 cm³; (15)Molar Volume: 97.7 cm³; (16)Polarizability: 16.05×10^-24cm³; (17)Surface Tension: 93.2 dyne/cm; (18)Enthalpy of Vaporization: 70.76 kJ/mol; (19)Vapour Pressure: 1.19×10^-8 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ncnc2ncnc12
(2)InChI: InChI=1/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
(3)InChIKey: CTGFGRDVWBZYNB-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	parenteral	323mg/kg (323mg/kg)		Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.

Product Name

6-Bromopurine

Synthetic route

6-Bromopurine Specification

Related Products

Hot Products