N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine
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![N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0dd7dacc88e74bcb9b761aba52a6c554.png "N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine")
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine
structure -
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CAS No:
64325-78-6
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Formula:
C38H35N5O6
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Chemical Name:
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine
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Synonyms:
Adenosine,N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-;Adenosine,N-benzoyl-5′-O-[α,α-bis(p-methoxyphenyl)benzyl]-2′-deoxy-;N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine;5′-O-(Dimethoxytrityl)-N-benzoyldeoxyadenosine;N6-Benzoyl-5′-O-(dimethoxytrityl)deoxyadenosine;5′-O-(Dimethoxytrityl)-N6-benzoyl-2′-deoxyadenosine;N6-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyadenosine;N6-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyadenosine;103949-68-4;127263-00-7;80594-30-5;292869-95-5
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CAS No:
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine Basic Attributes
657.71
657.71
264-776-4
DTXSID6074964
29349990
Safety Information
3
20/21/22-36/37/38
22-24/25-36-26
Xn
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine Use and Manufacturing
General procedure: To a solution of trityl alcohol (0.6 mmol, 1.2 equiv.) in dry CH2Cl2 (5 mL) in a round-bottomed flask was added trifluoroacetic anhydride (0.21 mL, 1.5 mmol, 3 equiv.) at rt under argon from a Schlenk line. A deep red solution was formed immediately (with 1a, the color was slightly lighter). After stirring for 2 h, the mixture was concentrated to dryness on a rotary evaporator under reduced pressure provided by a water aspirator. The flask was reattached to the Schlenk line and flushed with argon. The intermediate trityl cation was re-dissolved in dry THF (5 mL), and added via a cannula to a solution of alcohol substrate (0.5 mmol, 1 equiv.) and DIEA (0.175 mL, 1 mmol, 2 equiv.) in dry THF (5 mL) at rt (5-8) or 0 °C (3, 9-11). After stirring for 2 h (while warming to rt slowly if applicable), the reaction mixture was poured into a separatory funnel containing 5percent NaHCO3 (15 mL), and extracted with EtOAc (10 mL×2). The extracts were dried over anhydrous Na2SO4, filtered, and concentrated.
Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:657.7
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:657.25873385
Monoisotopic Mass:657.25873385
Topological Polar Surface Area:130
Heavy Atom Count:49
Complexity:1020
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine
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