5-tert-Butyl-1,3-diiminoisoindoline

Base Information

• Chemical Name: 5-tert-Butyl-1,3-diiminoisoindoline
• CAS No.: 52319-97-8
• Molecular Formula: C12H15N3
• Molecular Weight: 201.271
• Hs Code.: 2933990090
• European Community (EC) Number: 633-424-5
• DSSTox Substance ID: DTXSID30350848
• Nikkaji Number: J767.612C
• Mol file: 52319-97-8.mol

Synonyms:5-tert-Butyl-1,3-diiminoisoindoline;52319-97-8;5-tert-butyl-3-iminoisoindol-1-amine;SCHEMBL4956895;DTXSID30350848;5-t-butyl-1,3-diiminoisoindoline;5-tert-butylisoindoline-1,3-diimine;5-tert-Butyl-1,3-diiminoisoindoline, 98%;5-tert-butyl-1-imino-1H-isoindol-3-amine;5-tert-butyl-2,3-dihydro-1H-isoindole-1,3-diimine

Chemical Property of 5-tert-Butyl-1,3-diiminoisoindoline

Chemical Property:

• Melting Point: 229-232 °C (dec.)(lit.)
• PSA: 59.73000
• LogP: 2.76630
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N

Technology Process of 5-tert-Butyl-1,3-diiminoisoindoline

There total 1 articles about 5-tert-Butyl-1,3-diiminoisoindoline 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: 82.0%

4-(t-butyl)phthalonitrile (32703-80-3) → 5-tert-butyl-1H-isoindole-1,3-(2H)-diimine (52319-97-8)

Guidance literature:

With ammonia; sodium methylate; In methanol; for 6h; Heating / reflux;

Reference yield: 5.0%

5-tert-butyl-1H-isoindole-1,3-(2H)-diimine (52319-97-8) + gold(I) chloride (10294-29-8,11118-27-7) → tetra-tert-butylphthalocyanine gold(III) chloride (1414687-13-0) + gold(III) tetra-tert-butyl-[18]tribenzo-pentaaza-triphyrin

Guidance literature:

With 1-Chloronaphthalene; at 200 ℃; for 1.5h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201201701

Reference yield: 0.5%

2,5-diamino-thiophene-3,4-dicarbonitrile (17989-89-8) + nickel diacetate (373-02-4,14998-37-9,33025-09-1,94044-50-5,98268-31-6) + 5-tert-butyl-1H-isoindole-1,3-(2H)-diimine (52319-97-8) → nickel-tetra-4-tert-butylphthalocyanine-complex (39001-63-3) + (C(CH3)3C6H3)3C8H2N8Ni (1370688-46-2)

Guidance literature:

In further solvent(s); 5-tert-butyl-1,3-diiminoisoindole refluxed with 2,5-diamino-3,4-dicyanothiophene in the presence of Ni(OAc)2 in N,N-dimethylaminoethanol for 24 h;

DOI:10.1039/c2cc30760j

upstream raw materials:

4-(t-butyl)phthalonitrile

Downstream raw materials:

2,9,16,23-tetra-t-butyl-29H,31H-phthalocyanine

nickel-tetra-4-tert-butylphthalocyanine-complex

(C(CH₃)3C₆H₃)3C₈H₂N₈Ni

tetra-tert-butylphthalocyanine gold(III) chloride

Refernces

• 1、 -. "PORPHYRIN/PHTHALOCYANINE DIMER AND TETRAMER DIRECTLY BONDED AT PI SYSTEM AND PROCESSES FOR PRODUCING THESE". Page/Page column 12. . Retrieved 2008/06/13.
• 2、 Leznoff, Clifford C.,Greenberg, Shafrira. "THE SYNTHESES OF A MONOSUBSTITUTED AND AN UNSYMMETRICAL TETRASUBSTITUTED PHTHALOCYANINE USING BINUCLEAR PHTHALOCYANINES". . p. 5555 - 5558. Retrieved 2007/10/02.