C.I. Basic Blue 3

Base Information

• Chemical Name: C.I. Basic Blue 3
• CAS No.: 33203-82-6
• Deprecated CAS: 127302-45-8,6703-67-9,77641-00-0,940888-75-5,2097526-91-3
• Molecular Formula: C₂₀H₂₆N₃O*Cl
• Molecular Weight: 359.899
• European Community (EC) Number: 251-403-5,611-321-6,614-016-6
• NSC Number: 409100,367084
• UNII: H82L80329Y
• DSSTox Substance ID: DTXSID30873926
• Wikidata: Q27279744
• ChEMBL ID: CHEMBL389921
• Mol file: 33203-82-6.mol

Synonyms:Basic Blue 3;BB 3 dye;C.I. 51004 Basic Blue 3;C.I. Basic Blue 3

Chemical Property of C.I. Basic Blue 3

Chemical Property:

• Vapor Pressure: 3.24E-09mmHg at 25°C
• Melting Point: 205 °C (dec.)(lit.)
• Refractive Index: 1.575
• Boiling Point: 475.7°C at 760 mmHg
• Flash Point: 241.5°C
• PSA: 32.51000
• Density: 1.09g/cm³
• LogP: 1.95850
• Storage Temp.: room temp
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 359.1764402
• Heavy Atom Count: 25
• Complexity: 533

Purity/Quality:

99% ^*data from raw suppliers

Basic Blue 3 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]
• Uses: Basic blue 3 has a brilliant blue shade and thus has been used as a colorant in dyeing acrylic fabrics.

Technology Process of C.I. Basic Blue 3

There total 5 articles about C.I. Basic Blue 3 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: 60.0%

N,N-diethyl-3-methoxy-4-nitrosoaniline + 3-diethylaminophenol (91-68-9) → basic blue 3 (33203-82-6,55840-82-9)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; at 70 - 100 ℃; for 12h; Inert atmosphere;

DOI:10.1039/d0cc05133k

Reference yield:

C11H16N2O2*HCl + 3-diethylaminophenol (91-68-9) → basic blue 3 (33203-82-6,55840-82-9)

Guidance literature:

In isopropyl alcohol; at 20 ℃; for 4h;

DOI:10.1021/jm070201e

Reference yield:

3-diethylaminophenol (91-68-9) → basic blue 3 (33203-82-6,55840-82-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / acetonitrile / 1 h

1.2: 70 °C

2.1: hydrogenchloride; sodium nitrite / water / 2 h / Cooling with ice

2.2: pH 9

3.1: hydrogenchloride / isopropyl alcohol / 12 h / 70 - 100 °C / Inert atmosphere

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; isopropyl alcohol; acetonitrile;

DOI:10.1039/d0cc05133k

upstream raw materials:

2-amino-5-(diethylamino)phenol dihydrochloride

3-diethylaminophenol

Downstream raw materials:

acetamide

malonic acid

carvacrol

carbodiimide

Refernces

• 1、 Takasu, Kiyosei,Shimogama, Tsubasa,Satoh, Chie,Kaiser, Marcel,Brun, Reto,Ihara, Masataka. "Synthesis and antimalarial property of orally active phenoxazinium salts". . p. 2281 - 2284. Retrieved 2007.