1,4-Dibutoxynaphthalene-2,3-dicarbonitrile

Base Information

• Chemical Name: 1,4-Dibutoxynaphthalene-2,3-dicarbonitrile
• CAS No.: 116453-89-5
• Molecular Formula: C20H22 N2 O2
• Molecular Weight: 322.407
• Hs Code.: 2926909090
• European Community (EC) Number: 621-598-5
• DSSTox Substance ID: DTXSID20404268
• Nikkaji Number: J1.509.343I
• Wikidata: Q72465264
• Mol file: 116453-89-5.mol

Synonyms:1,4-dibutoxynaphthalene-2,3-dicarbonitrile;116453-89-5;1,4-Dibutoxy-2,3-naphthalenedicarbonitrile;MFCD00191997;SCHEMBL1524981;DTXSID20404268;AKOS015911430;CS-0335193;2,3-Naphthalenedicarbonitrile, 1,4-dibutoxy-;1,4-Dibutoxy-2,3-naphthalenedicarbonitrile, 99%;J-003443

Chemical Property of 1,4-Dibutoxynaphthalene-2,3-dicarbonitrile

Chemical Property:

• Vapor Pressure: 2.7E-11mmHg at 25°C
• Melting Point: 71-73℃
• Boiling Point: 529.5°C at 760 mmHg
• Flash Point: 201.2°C
• PSA: 66.04000
• Density: 1.12g/cm³
• LogP: 4.94096
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 322.168127949
• Heavy Atom Count: 24
• Complexity: 431

Purity/Quality:

98%min ^*data from raw suppliers

1,4-Dibutoxy-2,3-naphthalenedicarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C(=C(C2=CC=CC=C21)OCCCC)C#N)C#N
• Uses: 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile is a potentially useful biochemical. 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile is an intermediate. Dyes and metabolites.

Technology Process of 1,4-Dibutoxynaphthalene-2,3-dicarbonitrile

There total 3 articles about 1,4-Dibutoxynaphthalene-2,3-dicarbonitrile 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: 90.0%

1-bromo-butane (109-65-9) + 1,4-dihydroxy-2,3-naphthalenedicarbonitrile (1018-79-7) → 1,4-dibutoxy-2,3-naphthalocyaninedicarbonitrile (116453-89-5)

Guidance literature:

With potassium carbonate; In ice-water; N,N-dimethyl-formamide;

Reference yield: 58.0%

1-iodo-butane (542-69-8) + 1,4-dihydroxy-2,3-naphthalenedicarbonitrile (1018-79-7) → 1,4-dibutoxy-2,3-naphthalocyaninedicarbonitrile (116453-89-5)

Guidance literature:

In acetone; for 60h;

Reference yield:

2,3-Dichloro-1,4-naphthoquinone (117-80-6) → 1,4-dibutoxy-2,3-naphthalocyaninedicarbonitrile (116453-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / KCN

2: 58 percent / acetone / 60 h

With potassium cyanide; In acetone;

upstream raw materials:

1-iodo-butane

1,4-dihydroxy-2,3-naphthalenedicarbonitrile

2,3-Dichloro-1,4-naphthoquinone

1-bromo-butane

Downstream raw materials:

5,9,14,18,23,27,32,36-octa-n-butoxy-2,3-naphthalocyanine

1,4,5,8,9,12,13,16-octabutoxy-14-[3-(hydroxymethyl)phenoxy]phtalocyanine

C₇₆H₈₈N₈O₈

C₆₈H₈₄N₈O₈

Refernces

• 1、 -. "METHOD OF PROVING AUTHENTICITY, SIGNAL CONVERSION METHOD, POLYMER WELDING METHOD, METHOD OF PRODUCING LITHOGRAPHIC PRINTING PLATE, INK FOR PRINTING, TONER, AND HEAT RAY-SHIELDING MATERIAL, EACH USING NAPHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING NAPHTHALOCYANINE COMPOUND". Page/Page column 28-29. . Retrieved 2012/01/12.
• 2、 -. "Preparation of naphthalocyanines". . . Retrieved 2008/06/13.