120-00-3

Basic information

• Product Name: Fast Blue BB
• Synonyms: C.1.AzoicDiazoComponent20(37175);DaitoBlueBaseBB;n-(4-amino-2,5-diethoxyphenyl)-benzamid;4-BENZOYLAMINO-2,5-DIETHOXYANILINE;4'-AMINO-2',5'-DIETHOXYBENZANILIDE;LABOTEST-BB LT00053685;AZOIC DIAZO NO 20;AZOIC DIAZO COMPONENT 20 BASE
• CAS NO: 120-00-3
• Molecular Formula: C₁₇H₂₀N₂O₃
• Molecular Weight: 300.35
• EINECS: 204-363-8
• Product Categories: Dyes and Pigments;Cytochemistry Products;Hematology and Histology
• Mol File: 120-00-3.mol
• Article Data: 0

Chemical Properties

• Melting Point: 98-100 °C
• Boiling Point: 441.58°C (rough estimate)
• Flash Point: 199.023 °C
• Appearance: Gray to brown/Powder or Chunks
• Density: 1.0943 (rough estimate)
• Vapor Pressure: 8.74E-07mmHg at 25°C
• Refractive Index: 1.5486 (estimate)
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 12.12±0.70(Predicted)
• BRN: 3416889
• CAS DataBase Reference: Fast Blue BB(CAS DataBase Reference)
• NIST Chemistry Reference: Fast Blue BB(120-00-3)
• EPA Substance Registry System: Fast Blue BB(120-00-3)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-41-37/38
• Safety Statements: 37/39-26-36/37/39
• RIDADR: UN 1789 8/PG 2
• WGK Germany: 1
• TSCA: Yes
• Hazardous Substances Data: 120-00-3(Hazardous Substances Data)

Usage

Chemical Properties

grey to brown powder or chunks

Uses

Fast Blue BB is a component used in assays that detect virus in clinical specimen. It is also used in test kits that detect micro-organisms infection. Dyes and metabolites.

InChI:InChI=1/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)

Synthetic route

benzoic acid-(2,5-diethoxy-4-nitro-anilide) (135-41-1) → 1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3)

Conditions	Yield
With hydrogenchloride; iron
With hydrogenchloride; iron

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + 6-((2S,3R,4R,5S,6S)-3,4,5,6-Tetraacetoxy-tetrahydro-pyran-2-yl)-hexanoic acid → 1,2,3,4-tetra-O-acetyl-10-(4-benzamido-2,5-diethyloxyphenylaminocarbonyl)-6,7,8,9,10-pentadeoxy-α-L-galacto-decopyranose

Conditions	Yield
With 4 A molecular sieve; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃;	81%

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + 6-((2S,3R,4R,5S,6R)-3,4,5,6-Tetraacetoxy-tetrahydro-pyran-2-yl)-hexanoic acid → 1,2,3,4-tetra-O-acetyl-10-(4-benzamido-2,5-diethyloxyphenylaminocarbonyl)-6,7,8,9,10-pentadeoxy-β-L-galacto-decopyranose

Conditions	Yield
With 4 A molecular sieve; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃;	81%

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + sodium 4-methylbenzenesulfinate (824-79-3) → N-(4-amino-2,5-diethoxy-3-tosylphenyl)benzamide

Conditions	Yield
With perchloric acid In ethanol; water at 25℃; Electrolysis;	75%

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + sodium benzenesulfonate (873-55-2) → N-(4-amino-2,5-diethoxy-3-(phenylsulfonyl)phenyl)benzamide

Conditions	Yield
With perchloric acid In ethanol; water at 25℃; Electrolysis;	66%

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + sodium p-chlorobenzenesulphinate (14752-66-0) → N-(4-amino-3-((4-chlorophenyl)sulfonyl)-2,5-diethoxyphenyl)-benzamide

Conditions	Yield
With perchloric acid In ethanol; water at 25℃; Electrolysis;	62%

5tbenzo[1,3]dioxol-5-yl-3-oxo-pent-4-enoic acid ethyl ester + 1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) → 2,5-diethoxy-N-(5t-benzo[1,3]dioxol-5-yl-3-oxo-pent-4-enoyl)-N'-benzoyl-p-phenylenediamine

Conditions	Yield
With xylene

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + diphenylcarbamic chloride (83-01-2) → N'-(2,5-diethoxy-4-benzoylamino-phenyl)-N,N-diphenyl-urea

Conditions	Yield
With pyridine; 2-methyl-propan-1-ol

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + benzoyl chloride (98-88-4) + 1-amino-4-chloroanthraquinone (2872-47-1) → C38H31N3O6 (43096-15-7)

Conditions	Yield
(i), (ii) /BRN= 3416889/, Na2CO3, NaOAc; Multistep reaction;

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + 3-oxo-1-<2-chloro-phenyl>-penten-(1)-oic acid (5)-ethyl ester → 5-(2-chloro-phenyl)-3-oxo-pent-4-enoic acid-(2,5-diethoxy-4-benzoylamino-anilide)

Conditions	Yield
With xylene

1-amino-4-benzoylamino-2,5-diethoxy-benzene (120-00-3) + 3-oxo-1-<3.4-dimethoxy-phenyl>-penten-(1)-oic acid (5)-ethyl ester → 5-(3,4-dimethoxy-phenyl)-3-oxo-pent-4-enoic acid-(2,5-diethoxy-4-benzoylamino-anilide)

Conditions	Yield
With xylene

Upstream product

• 135-41-1 benzoic acid-(2,5-diethoxy-4-nitro-anilide) 

Downstream Products

• 43096-15-7 C₃₈H₃₁N₃O₆