Heptanedioic acid, bis(4-nitrophenyl) ester

Base Information

• Chemical Name: Heptanedioic acid, bis(4-nitrophenyl) ester
• CAS No.: 49761-23-1
• Molecular Formula: C19H18N2O8
• Molecular Weight: 402.361
• DSSTox Substance ID: DTXSID20451510
• Nikkaji Number: J1.560.681I
• Wikidata: Q82271573

Synonyms:49761-23-1;Heptanedioic acid, bis(4-nitrophenyl) ester;Bis-(4-nitrophenyl)pimelate;Bis(4-nitrophenyl) Heptanedioate;DTXSID20451510;Heptanedioic acid bis(4-nitrophenyl) ester

Chemical Property of Heptanedioic acid, bis(4-nitrophenyl) ester

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 402.10631554
• Heavy Atom Count: 29
• Complexity: 520

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Heptanedioic acid, bis(4-nitrophenyl) ester

There total 1 articles about Heptanedioic acid, bis(4-nitrophenyl) ester 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: 83.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + pimeloyl chloride (142-79-0) → bis(4-nitrophenyl) heptane-1,7-dioate (49761-23-1)

Guidance literature:

With pyridine; In chloroform; for 2.5h; Ambient temperature;

Reference yield: 90.0%

bis(4-nitrophenyl) heptane-1,7-dioate (49761-23-1) + N6-benzoyl-9-{3'-O-benzoyl-4'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-β-D-ribopyranosyl}adenine (221170-43-0) → N6-benzoyl-9-(3'-O-benzoyl-4'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-{6-[(4-nitrophenoxy)carbonyl]hexanoyl}-β-D-ribopyranosyl)adenosine

Guidance literature:

With dmap; In pyridine; at 20 ℃;

DOI:10.1002/hlca.200390349

Reference yield: 90.0%

bis(4-nitrophenyl) heptane-1,7-dioate (49761-23-1) + 2-amino-9-{3'-O-benzoyl-4'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-β-D-ribopyranosyl}-N2-isobutyryl-6-[(prop-2-enyl)oxy]purine (221170-44-1) → 2-amino-9-(3'-O-benzoyl-4'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-{6-[(4-nitrophenoxy)carbonyl]hexanoyl}-β-D-ribopyranosyl)-N2-isobutyryl-6-[(prop-2-enyl)oxy]purine

Guidance literature:

With dmap; In pyridine; at 20 ℃;

DOI:10.1002/hlca.200390349

upstream raw materials:

4-nitro-phenol

pimeloyl chloride

Downstream raw materials:

Heptanedioic acid (2S,3S,4S,5S)-2-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(2-nitro-benzyloxymethoxy)-tetrahydro-furan-3-yl ester 4-nitro-phenyl ester

Heptanedioic acid (2S,3S,4S,5S)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(2-isobutyrylamino-6-oxo-1,6-dihydro-purin-9-yl)-4-(2-nitro-benzyloxymethoxy)-tetrahydro-furan-3-yl ester 4-nitro-phenyl ester

1-[3'-deoxy-4'-O-(4,4-dimethoxytrityl)-β-D-ribopyranosyl]thymine 2'-(4-nitrophenyl heptanedioate)

N⁴-acetyl 1-[3'-deoxy-4'-O-(4,4'-dimethoxytrityl)-β-D-ribopyranosyl]-5-methylcytosine 2'-(4-nitrophenyl heptanedioate)

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