Crystal violet lactone

Base Information

• Chemical Name: Crystal violet lactone
• CAS No.: 1552-42-7
• Deprecated CAS: 129652-58-0
• Molecular Formula: C26H29N3O2
• Molecular Weight: 415.535
• Hs Code.: 29322090
• European Community (EC) Number: 216-293-5
• NSC Number: 32991,3562
• UNII: USS7CW0676
• DSSTox Substance ID: DTXSID8024866
• Nikkaji Number: J68.910F
• Wikipedia: Crystal_violet_lactone
• Wikidata: Q5191420
• ChEMBL ID: CHEMBL1369406
• Mol file: 1552-42-7.mol

Synonyms:6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-1(3H)-isobenzofuranone;crystal violet lactone

Chemical Property of Crystal violet lactone

Chemical Property:

• Appearance/Colour: Blue-green crystals or pale green powder
• Vapor Pressure: 8.57E-15mmHg at 25°C
• Melting Point: 180-183 °C
• Refractive Index: 1.655
• Boiling Point: 609.4 °C at 760 mmHg
• PKA: 4.73±0.24(Predicted)
• Flash Point: 322.4 °C
• PSA: 36.02000
• Density: 1.198 g/cm
• LogP: 4.34690
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: <0.1 g/100 mL at 22.5℃
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 415.22597718
• Heavy Atom Count: 31
• Complexity: 590

Purity/Quality:

99%, ^*data from raw suppliers

CVL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C
• Uses: Crystal Violet lactone is an important functional dye for the production of pressure sensitive materials. It is a chemical intermediate , intermediates for thermal/carbonless Paper, used in medicine and biochemical research, a leuco dye..

Technology Process of Crystal violet lactone

There total 9 articles about Crystal violet lactone 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: 95.4%

2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid (1255-69-2) → 3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone (1552-42-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water;

Reference yield: 95.0%

→ 3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone (1552-42-7)

Guidance literature:

Reference yield:

phenolphthalein (77-09-8) → 2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid (1255-69-2) + 3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone (1552-42-7)

Guidance literature:

With sodium hydroxide; acetic acid; In water; toluene;

upstream raw materials:

2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid

4,4-bis-(p-dimethylaminophenyl)-7-dimethylamino-3,4-dihydro-1(2H)-phthalazinone

dimethyl sulfate

6-amino-3,3-bis(4-dimethylaminophenyl)phthalide

Downstream raw materials:

[(η6-crystal violet lactone)RuCp*]PF6

[(crystal violet lactone)Ru(η4-cod)]

4,4-bis-(p-dimethylaminophenyl)-7-dimethylamino-3,4-dihydro-1(2H)-phthalazinone

2-methyl-4,4-bis-(p-dimethylaminophenyl)-7-dimethylamino-3,4-dihydro-1(2H)-phthalazinone

Refernces

• 1、 -. "Thermochromic microencapsulated pigments". . . Retrieved 2008/06/13.
• 2、 -. "Process for producing 3,3-bis-(4-dimethylaminophenyl)-6-dimethylaminophthalide". . . Retrieved 2008/06/13.