BZ-Dmt-deoxyadenosine 2-clph diester triethylammonium salt

Base Information

• Chemical Name: BZ-Dmt-deoxyadenosine 2-clph diester triethylammonium salt
• CAS No.: 85381-22-2
• Molecular Formula: C44H39ClN5O9P
• Molecular Weight: 949.44
• European Community (EC) Number: 286-750-1
• Mol file: 85381-22-2.mol

Synonyms:85381-22-2;BZ-DMT-DEOXYADENOSINE 2-CLPH DIESTER TRIETHYLAMMONIUM SALT;[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine;Triethylamine (2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-chlorophenyl) phosphate

Chemical Property of BZ-Dmt-deoxyadenosine 2-clph diester triethylammonium salt

Chemical Property:

• PSA: 181.92000
• LogP: 10.34210
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 18
• Exact Mass: 948.3378420
• Heavy Atom Count: 67
• Complexity: 1410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=O)(O)OC8=CC=CC=C8Cl
• Isomeric SMILES: CCN(CC)CC.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)OP(=O)(O)OC8=CC=CC=C8Cl

Technology Process of BZ-Dmt-deoxyadenosine 2-clph diester triethylammonium salt

There total 1 articles about BZ-Dmt-deoxyadenosine 2-clph diester triethylammonium salt which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

triethylamine carbonate (15715-58-9) + N6-benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine (64325-78-6) + 2-chlorophenyl dichlorophosphate (15074-54-1) → 5'-O-(dimethoxytrityl)-N-benzoyl-2'-deoxyadenosine 3'-(o-chlorophenyl) phosphate triethylammonium salt (85381-22-2)

Guidance literature:

N₆-benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine; 2-chlorophenyl dichlorophosphate; With pyridine; 1,2,3-triazole; In dichloromethane; at 0 ℃; for 2.5h;

triethylamine carbonate; With water; In dichloromethane; Further stages.;

DOI:10.1080/15257770701426260

Reference yield: 80.0%

5'-O-(dimethoxytrityl)-N-benzoyl-2'-deoxyadenosine 3'-(o-chlorophenyl) phosphate triethylammonium salt (85381-22-2) + bzAdΦ(CNEt) (69434-23-7) → <(MeO)2Tr>bzAdΦbzAdΦ(CNEt) (75269-16-8)

Guidance literature:

With 1-methyl-1H-imidazole; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; In pyridine; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(00)98833-6

Reference yield: 73.0%

5'-O-(dimethoxytrityl)-N-benzoyl-2'-deoxyadenosine 3'-(o-chlorophenyl) phosphate triethylammonium salt (85381-22-2) + 3'-O-benzoyl-N2-isobutyryl-2'-deoxyguanosine (63660-23-1) → C65H60ClN10O14P (99388-90-6)

Guidance literature:

With 1-methyl-1H-imidazole; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; In pyridine; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4039(00)98833-6

upstream raw materials:

triethylamine carbonate

N₆-benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine

2-chlorophenyl dichlorophosphate

Downstream raw materials:

Phosphoric acid (2R,3S,5R)-5-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 2-chloro-phenyl ester 2,5-dimethoxy-2,5-dihydro-furan-2-ylmethyl ester

C₈₇H₈₄Cl₃N₁₆O₂₃P₃

<(MeO)2Tr>bzA_dΦbzA_dΦ(CNEt)

C₆₅H₆₀ClN₁₀O₁₄P

Refernces