3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
• CAS No.: 23767-72-8
• Molecular Formula: C14H8 N4 O
• Molecular Weight: 248.244
• NSC Number: 98490,98397
• DSSTox Substance ID: DTXSID90294850
• Nikkaji Number: J2.551.161A
• Wikidata: Q82034422
• Mol file: 23767-72-8.mol

Synonyms:3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile;23767-72-8;1,1,2,2-Cyclopropanetetracarbonitrile,(4-methoxyphenyl)-;NSC98397;Maybridge3_000724;DTXSID90294850;HMS1433A20;NSC98490;AMB103502;NSC-98397;NSC-98490;NSC788697;AKOS024341143;NSC-788697;IDI1_012111;3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetra-carbonitrile;3-(4-METHOXY-PHENYL)-CYCLOPROPANE-1,1,2,2-TETRACARBONITRILE

Chemical Property of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile

Chemical Property:

• Vapor Pressure: 3.09E-14mmHg at 25°C
• Boiling Point: 597.4°Cat760mmHg
• Flash Point: 250.7°C
• Density: 1.34g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 248.06981089
• Heavy Atom Count: 19
• Complexity: 504

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2C(C2(C#N)C#N)(C#N)C#N

Technology Process of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile

There total 5 articles about 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile 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: 98.0%

2-(4-methoxyphenylmethylene)malononitrile (2826-26-8) + malononitrile (109-77-3) → 3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile (23767-72-8)

Guidance literature:

With bromine; In ethanol; water; at 40 ℃; for 1h;

DOI:10.1016/j.mencom.2009.11.010

Reference yield: 95.0%

4-methoxy-benzaldehyde (123-11-5) + malononitrile (109-77-3) → 3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile (23767-72-8)

Guidance literature:

With bromocyane; triethylamine; In ethanol; at 0 - 20 ℃; for 0.00138889h;

DOI:10.1002/jccs.201200189

Reference yield: 90.0%

bromocyane (506-68-3) + 4-methoxy-benzaldehyde (123-11-5) + malononitrile (109-77-3) → 3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile (23767-72-8)

Guidance literature:

With sodium ethanolate; In neat (no solvent); at 20 ℃; for 0.00333333h;

DOI:10.1007/s00706-014-1180-2

upstream raw materials:

dibromomalononitrile

4-methoxy-benzaldehyde

2-(4-methoxyphenylmethylene)malononitrile

malononitrile

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