Methylrosaniline

Base Information

• Chemical Name: Methylrosaniline
• CAS No.: 467-63-0
• Deprecated CAS: 12769-21-0,1325-83-3,1325-83-3
• Molecular Formula: C25H31N3O
• Molecular Weight: 389.541
• European Community (EC) Number: 207-396-6
• DSSTox Substance ID: DTXSID1052115
• Nikkaji Number: J9.693H
• Wikidata: Q72508478
• Pharos Ligand ID: WBY45D5W9WBR
• ChEMBL ID: CHEMBL592105
• Mol file: 467-63-0.mol

Synonyms:Solvent Violet 9;Methylrosaniline;467-63-0;tris[4-(dimethylamino)phenyl]methanol;Methylrosanilinum;Crystal Violet Carbinol;C.I. Solvent Violet 9;Violet 5BO Base;Violet 5BNO Base;Crystal Violet Carbinol Base;Waxoline Violet 10B;tris(4-(dimethylamino)phenyl)methanol;Aizen Crystal Violet Base;4,4',4''-Dimethylaminotriphenylcarbinol;C.I. Basic Violet 3, carbinol;Tri(p-dimethylaminophenyl)methanol;EINECS 207-396-6;BRN 2225285;C.I. 42555B;Carbinolbase des kristallviolett [German];Carbinolbase des kristallviolett;p,p',p''-Tris(dimethylamino)trityl alcohol;C25H31N3O;C.I. 42555:1;Methanol, tris(p-(dimethylamino)phenyl)-;Benzenemethanol, 4-(dimethylamino)-alpha,alpha-bis(4-(dimethylamino)phenyl)-;4-13-00-02284 (Beilstein Handbook Reference);SolventViolet9;4-(Dimethylamino)-alpha,alpha-bis(4-(dimethylamino)phenyl)-benzenemethanol;Benzenemethanol, 4-(dimethylamino)-.alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-;C.I.Solvent Violet 9;metilrosanilina;Cambridge id 5152606;SULFATHIAZOLESODIUMSALT;SCHEMBL158959;CHEMBL592105;DTXSID1052115;CHEBI:136016;MFCD00071920;NSC766410;NSC-766410;LS-91063;C.I.20505;HY-125786;CS-0099331;E75944;AE-641/04595023;Benzenemethanol, 4-(dimethylamino)-? ,?-bis[4-(dimethylamino)phenyl]-

Chemical Property of Methylrosaniline

Chemical Property:

• Vapor Pressure: 4.11E-14mmHg at 25°C
• Melting Point: 202 °C (polymorph)
• Refractive Index: 1.639
• Boiling Point: 576.1 °C at 760 mmHg
• PKA: 14.30±0.29(Predicted)
• Flash Point: 294.6 °C
• PSA: 29.95000
• Density: 1.131 g/cm³
• LogP: 4.16880
• Water Solubility.: 640μg/L at 25℃
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 389.246712621
• Heavy Atom Count: 29
• Complexity: 413

Purity/Quality:

99.9% ^*data from raw suppliers

SolventViolet9(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O

Technology Process of Methylrosaniline

There total 115 articles about Methylrosaniline 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:

C9H10O3*C25H31N3O → crystal violet carbinol base (467-63-0) + 2-ethoxybenzoic acid (134-11-2)

Guidance literature:

In toluene; at 28 ℃; Kinetics;

DOI:10.1021/jp110851s

Reference yield:

C7H3F2O2(1-)*C25H30N3(1+) → crystal violet carbinol base (467-63-0) + 2,3-difluorobenzoic acid (4519-39-5)

Guidance literature:

With water; In chlorobenzene; at 28 ℃; Further Variations:; Temperatures; Equilibrium constant;

Reference yield:

C25H30N3(1+)*C7H4ClO2(1-) → crystal violet carbinol base (467-63-0) + 3-chlorobenzoate (535-80-8)

Guidance literature:

In toluene; at 28.5 ℃; Rate constant; log k_-1 value;

DOI:10.1002/(SICI)1099-1395(199706)10:6<466::AID-POC916>3.0.CO;2-N

upstream raw materials:

tetrachloromethane

crystal violet

4,4',4''-tris-dimethylamino-trityl-amine

tris-(4-dimethylamino-phenyl)-methanethiol

Downstream raw materials:

tris[4-(dimethylamino)phenyl]methane

tris-(4-dimethylamino-phenyl)-methanesulfonic acid

1,1,1-tris(4-N,N-dimethylaminophenyl)ethane

crystal violet

Refernces

• 1、 Arias-Estevez,Astray,Cid,Fernandez-Gandara,Garcia-Rio,Mejuto. "Influence of colloid suspensions of humic acids upon the alkaline fading of carbocations". . p. 555 - 560. Retrieved 2008.
• 2、 Chen, Zhi Yun,Zhao, Ji Hua,He, Wei,An, Xue Qin,Shen, Wei Guo. "Study of association thermodynamics between crystal violet and sodium bis(2-ethylhexyl)-sulfosuccinate and kinetics of basic fading of crystal violet in microemulsions". . p. 294 - 300. Retrieved 2008.
• 3、 Bunton, Clifford A.,Dorwin, Ellen L.. "Reactions of Carbocations with a Functionalized Hydrophobic Ammonium Ion". . p. 4093 - 4096. Retrieved 1986.
• 4、 Mikheev,Guseva,Ershov. "The optical properties of triphenylmethane dye molecules and chromogens". . p. 1580 - 1588. Retrieved 2008.
• 5、 Duynstee,Grunwald. "". . p. 4540,4542. Retrieved 1959.
• 6、 Turgeon,La Mer. "". . p. 5988,5989. Retrieved 1952.
• 7、 Sen Gupta, Susanta K.,Mishra, Sangeeta. "Kinetics of proton transfer between ortho substituted benzoic acids and the carbinol base of crystal violet in toluene. Ortho effect on the reactivity of benzoic acids in apolar aprotic solvents". experimental part. p. 4616 - 4623. Retrieved 2011/06/26.