 Home > Encyclopedia > 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine structure

CAS No:
142217-80-9
Formula:
C53H49N5O4
Chemical Name:
6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine
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Pharmaceutical Intermediates > Antivirals

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6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine Basic Attributes

Molecular Weight：

819.99

Exact Mass：

819.378455

EC Number：

1806241-263-5

DSSTox ID：

DTXSID10676891

Characteristics

PSA：

92.6

XLogP3：

10.81030

Density：

1.19g/cm3

Refractive Index：

1.635

6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine Use and Manufacturing

Step (1) Preparation of intermediate IX, in a sealed nitrogen-filled 20L reaction bottle, 3.8kg of zinc powder and 10wtpercent hydrochloric acid (12.5L) were sequentially added, stirred at room temperature for 10-15min, suction filtered, washed with purified water to neutral, Wash with 3.0L ethanol, 4.5L tetrahydrofuranPolyester, 40 ± 2 ° C vacuum drying 4-4.5h to obtain about 3kg activated zinc powder. The activated zinc powder is sealed and stored under vacuum.In a 100L reactor, evacuate, replace N2, add 40L of dry (type A molecular sieve drying) tetrahydrofuran, add dry activated 3kg zinc powder and 1.3L of dibromomethane with stirring, and cool the mixture to -70~-55 °C And then drop1140 ml of titanium tetrachloride was added dropwise, stirred for 1 h, then warmed up, reacted for 48 ± 0.5 h, and sealed for use.The olefination reagent was cooled to -20-30 ° C, and 1.2 kg of a solution of Intermediate VIII in 20 L of dichloromethane was added dropwise. After the addition, the temperature was raised to 15-20 ° C and the reaction was stirred for 180 ± 10 min. TLC was used to detect the endpoint of the reaction. The reacted solution was pumped into a 200 L reaction vessel (30 L of dichloromethane, 100 L of purified water, 10 kg of sodium hydrogencarbonate mixed system) and stirred for 60-70 min. The mixture was washed with a stainless steel centrifuge, and the filter cake was washed twice with dichloromethane (16L). The combined filtrates were collected and separated, and the aqueous phase was extracted with dichloromethane (16L×2).Concentrate to dryness in vacuo at 25-30 ° C to give 6-benzyloxy-9-((1S, 3R, 3S)-4-benzyloxy-3-benzyloxymethyl-2-methylenecyclopentyl) -N-((4-methoxybenzene)The product is a yellow powder of diphenylmethyl)-9H-indol-2-amine, intermediate IX, a single step yield of 88percent and a purity of 93.6percent.

Computed Properties

Molecular Weight:820.0
XLogP3:10.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:819.37845506
Monoisotopic Mass:819.37845506
Topological Polar Surface Area:92.6
Heavy Atom Count:62
Complexity:1310
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Entecavir Intermediate VII

CAS No.: 142217-80-9

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6-(Benzyloxy)-9-((1S,3R,3S)-4-(b 99% high quality see COA KANBEI

CAS No.: 142217-80-9

Grade: Industrial Grade

Content: 99%

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Guide of 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine

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