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5878-61-5 Usage

Chemical Properties

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Uses

An adenosine receptor antagonist

Check Digit Verification of cas no

The CAS Registry Mumber 5878-61-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,7 and 8 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5878-61:
(6*5)+(5*8)+(4*7)+(3*8)+(2*6)+(1*1)=135
135 % 10 = 5
So 5878-61-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3

5878-61-5 Well-known Company Product Price

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  • TCI America

  • (C2748)  7-(2-Chloroethyl)theophylline  >98.0%(HPLC)(T)

  • 5878-61-5

  • 5g

  • 510.00CNY

  • Detail
  • TCI America

  • (C2748)  7-(2-Chloroethyl)theophylline  >98.0%(HPLC)(T)

  • 5878-61-5

  • 25g

  • 1,690.00CNY

  • Detail

5878-61-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-(2-Chloroethyl)theophylline

1.2 Other means of identification

Product number -
Other names 1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5878-61-5 SDS

5878-61-5Synthetic route

theophylline
58-55-9

theophylline

1,2-dichloro-ethane
107-06-2

1,2-dichloro-ethane

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Conditions
ConditionsYield
With sodium hydroxide; Aliquat 336 for 4h; Heating;99%
With sodium hydroxide In water; isopropyl alcohol at 78 - 80℃; for 76.5h; Heating;90%
In water; dimethyl sulfoxide
7-(2-hydroxyethyl)theophylline
519-37-9

7-(2-hydroxyethyl)theophylline

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Conditions
ConditionsYield
With thionyl chloride; benzene
p-hydroxyamphetamine
103-86-6

p-hydroxyamphetamine

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

p-Hydroxy-fenetyllin
62401-66-5

p-Hydroxy-fenetyllin

Conditions
ConditionsYield
62%
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

5-(1-piperazinyl)-3(2H)-pyridazinone
159430-52-1

5-(1-piperazinyl)-3(2H)-pyridazinone

5-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone

5-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone

Conditions
ConditionsYield
With sodium carbonate In i-Amyl alcohol for 20h; Heating;40%
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

1,3-dimethyl-8-(trifluoromethyl)-7-(2-chloroethyl)-3,7-dihydro-1H-purine-2,6-dione

1,3-dimethyl-8-(trifluoromethyl)-7-(2-chloroethyl)-3,7-dihydro-1H-purine-2,6-dione

Conditions
ConditionsYield
With pyridine N-oxide; ruthenium tris(4,4'-bis(dinonylmethyl)-2,2'-bipyridine) In dichloromethane; acetonitrile at 20℃; for 24h; Irradiation;32%
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

6-(piperazin-1-yl)pyridazin-3(2H)-one
145276-53-5

6-(piperazin-1-yl)pyridazin-3(2H)-one

6-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone

6-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone

Conditions
ConditionsYield
With sodium carbonate In i-Amyl alcohol Heating;30%
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

methyl 4-[N-(1-oxopropyl)-N-phenylamino]-4-piperidinecarboxylate
72996-78-2

methyl 4-[N-(1-oxopropyl)-N-phenylamino]-4-piperidinecarboxylate

1-[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester
131729-08-3

1-[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

Conditions
ConditionsYield
With sodium carbonate; sodium iodide In acetonitrile Heating;28%
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

2-methyl-5-(1-piperazinyl)-3(2H)-pyridazinone

2-methyl-5-(1-piperazinyl)-3(2H)-pyridazinone

2-methyl-5-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone

2-methyl-5-<4-<2-(7-theophyllin)-ethyl>-1-piperazinyl>-3(2H)-pyridazinone

Conditions
ConditionsYield
With sodium carbonate In i-Amyl alcohol for 20h; Heating;20%
propylamine
107-10-8

propylamine

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

1,3-dimethyl-7-(2-propylamino-ethyl)-3,7-dihydro-purine-2,6-dione; hydrochloride
1221-11-0

1,3-dimethyl-7-(2-propylamino-ethyl)-3,7-dihydro-purine-2,6-dione; hydrochloride

Conditions
ConditionsYield
With methanol
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

cyclohexylamine
108-91-8

cyclohexylamine

7-(2-cyclohexylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; hydrochloride
3842-60-2

7-(2-cyclohexylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; hydrochloride

Conditions
ConditionsYield
With methanol
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

ethylamine
75-04-7

ethylamine

7-(2-ethylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
95390-83-3

7-(2-ethylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With ethanol
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

isopropylamine
75-31-0

isopropylamine

7-(2-isopropylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
94523-41-8

7-(2-isopropylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With methanol
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

methylamine
74-89-5

methylamine

1,3-dimethyl-7-(2-methylamino-ethyl)-3,7-dihydro-purine-2,6-dione
70919-97-0

1,3-dimethyl-7-(2-methylamino-ethyl)-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With ethanol
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

benzylamine
100-46-9

benzylamine

7-(2-benzylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
22680-61-1

7-(2-benzylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With ethanol
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

1,3-dimethyl-7-vinyl-3,7-dihydro-purine-2,6-dione
22247-84-3

1,3-dimethyl-7-vinyl-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With ethanol; sodium diethylmalonate
Multi-step reaction with 2 steps
1: H2O; KI
2: sodium compound of malonic acid diethyl ester; ethanol
View Scheme
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-(2-iodo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
65919-56-4

7-(2-iodo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With water; potassium iodide
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-(2-Aminoethyl)theophylline
35206-02-1

7-(2-Aminoethyl)theophylline

Conditions
ConditionsYield
With ethanol; ammonia
N-methylcyclohexylamine
100-60-7

N-methylcyclohexylamine

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-<2-(N-methyl-N-cyclohexyl)-aminoethyl>-1,3-dimethylxanthine

7-<2-(N-methyl-N-cyclohexyl)-aminoethyl>-1,3-dimethylxanthine

Conditions
ConditionsYield
at 100℃; for 4.75h;
(4-fluorophenyl)-piperidin-4-ylmethanone
56346-57-7

(4-fluorophenyl)-piperidin-4-ylmethanone

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-[2-[4-(p-fluorobenzoyl)-piperidino]-ethyl]-theophylline

7-[2-[4-(p-fluorobenzoyl)-piperidino]-ethyl]-theophylline

Conditions
ConditionsYield
at 100℃; for 1h;14.5 g
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

N-(furan-2-carbonyl)piperazine
40172-95-0

N-(furan-2-carbonyl)piperazine

7-<3-<4-(2-Furoyl)-1-piperazinyl>-ethyl>-theophyllin

7-<3-<4-(2-Furoyl)-1-piperazinyl>-ethyl>-theophyllin

Conditions
ConditionsYield
at 100℃; for 3h;
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

sodium-salt of 1H-imidazole

sodium-salt of 1H-imidazole

7-(2-imidazol-1-yl-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
109018-72-6

7-(2-imidazol-1-yl-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Conditions
ConditionsYield
With N,N-dimethyl-formamide
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

sodium-salt of theophylline

sodium-salt of theophylline

7,7'-ethylenebis
32898-07-0

7,7'-ethylenebis

Conditions
ConditionsYield
With N,N-dimethyl-formamide
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

1,2,3,4-tetrahydro-benzo[4,5]thieno[2,3-c]pyridine hydrochloride
59496-07-0

1,2,3,4-tetrahydro-benzo[4,5]thieno[2,3-c]pyridine hydrochloride

7-[2-(3,4-dihydrobenzothieno[2,3-c]pyridin-2(1H)-yl)ethyl]-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
263543-59-5

7-[2-(3,4-dihydrobenzothieno[2,3-c]pyridin-2(1H)-yl)ethyl]-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

Conditions
ConditionsYield
With sodium carbonate In methanol; butanone
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

N-(furan-2-carbonyl)piperazine
40172-95-0

N-(furan-2-carbonyl)piperazine

7-[3-[4-(2-furoyl)-1-piperazinyl]-2-hydroxypropyl]-theophylline

7-[3-[4-(2-furoyl)-1-piperazinyl]-2-hydroxypropyl]-theophylline

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane
fluorobenzoylpiperidine hydrochloride

fluorobenzoylpiperidine hydrochloride

(4-fluorophenyl)-piperidin-4-ylmethanone
56346-57-7

(4-fluorophenyl)-piperidin-4-ylmethanone

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-[2-[4-(p-fluorobenzoyl)-piperidino]-ethyl]-theophylline

7-[2-[4-(p-fluorobenzoyl)-piperidino]-ethyl]-theophylline

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide In tetrachloromethane; ethyl acetate
3-(3,6-dihydro-1(2H)-pyridinyl)-1H-indole

3-(3,6-dihydro-1(2H)-pyridinyl)-1H-indole

chloroform
67-66-3

chloroform

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

toluene
108-88-3

toluene

3,7-dihydro-7-[2-[3,6-dihydro-4-(1H-indol-3-yl)-1(2H)-pyridinyl]ethyl]-1,3-dimethyl-1H-purine-2,6-dione

3,7-dihydro-7-[2-[3,6-dihydro-4-(1H-indol-3-yl)-1(2H)-pyridinyl]ethyl]-1,3-dimethyl-1H-purine-2,6-dione

Conditions
ConditionsYield
With potassium iodide; sodium carbonate In methanol3.1 parts (51.6%)
chloroform
67-66-3

chloroform

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

4-methyl-2-pentanone
108-10-1

4-methyl-2-pentanone

3-(4-piperidinyl)-1H-indole
17403-09-7

3-(4-piperidinyl)-1H-indole

7-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Conditions
ConditionsYield
With potassium iodide; sodium carbonate In methanol; water4 parts (50%)
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
5878-61-5

7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

4-methyl-2-pentanone
108-10-1

4-methyl-2-pentanone

4-[5-(hydroxy)indol-3-yl]-piperidine
62555-50-4

4-[5-(hydroxy)indol-3-yl]-piperidine

3,7-dihydro-7-[2-[4-(5-hydroxy-1H-indol-3-yl)-1-piperidinyl]ethyl]-1,3-dimethyl-1H-purine-2,6-dione
102144-79-6

3,7-dihydro-7-[2-[4-(5-hydroxy-1H-indol-3-yl)-1-piperidinyl]ethyl]-1,3-dimethyl-1H-purine-2,6-dione

Conditions
ConditionsYield
With potassium iodide; sodium carbonate In methanol; chloroform2.5 parts (43%)

5878-61-5Relevant articles and documents

Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation

-

, (2008/06/13)

A method of treating skin or hair for promoting pigmentation wherein a xanthine component, in an amount effective to promote pigmentation, is incorporated in liposomes or hydrated lipidic lamellar phases.

Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient

-

, (2008/06/13)

According to the invention, there are provided novel amide derivatives and 5-lipoxygenase inhibitors containing the same as an effective ingredient. The above-mentioned compounds of the invention have been demonstrated to posses 5-lipoxygenase-inhibiting activities. These compounds can inhibit the production of leucotrienes such as LTC4 and LTD4 which are allergy-inducing factors by inhibiting the activity of 5-lipoxygenase. Accordingly, the amide derivatives can be used as 5-lipoxygenase inhibitors effective for allergic asthma, allergic rhinitis and the like.

Synthesis and pharmacological testing of some theophylline esters

Ride,Farghaly,Ashour

, p. 672 - 676 (2007/10/04)

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