59578-63-1

Basic information

• Product Name: 4-BENZYLAMINO-1-BUTANOL
• Synonyms: AKOS BBB/423;4-BENZYLAMINO-BUTAN-1-OL;4-BENZYLAMINO-1-BUTANOL;N-(4-HYDROXYBUTYL)BENZYLAMINE;TIMTEC-BB SBB000208;BENZYL-(4-HYDROXYBUTYL)AZANIUM;4-BENZYLAMINO-1-BUTANOL 96+%;4-Benzylamino-1-butanol, 98+%
• CAS NO: 59578-63-1
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.26
• Mol File: 59578-63-1.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 140 °C / 0.8mmHg
• Flash Point: 105.5°C
• Appearance: /
• Density: 1,02 g/cm3
• Vapor Pressure: 0.000648mmHg at 25°C
• Refractive Index: 1.5320-1.5340
• PKA: 15.10±0.10(Predicted)
• CAS DataBase Reference: 4-BENZYLAMINO-1-BUTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BENZYLAMINO-1-BUTANOL(59578-63-1)
• EPA Substance Registry System: 4-BENZYLAMINO-1-BUTANOL(59578-63-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 59578-63-1(Hazardous Substances Data)

Usage

General Description

4-BENZYLAMINO-1-BUTANOL is a chemical compound with the molecular formula C11H17NO. It is a colorless liquid with a faint odor, and it is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. 4-BENZYLAMINO-1-BUTANOL is also known for its mild, pleasant aroma, making it a popular choice as a fragrance ingredient in personal care products and perfumes. It is considered to be relatively non-toxic and non-irritating, and its versatility and safety make it a valuable component in various industries. Additionally, it has potential applications in the fields of medicinal chemistry and drug development due to its unique chemical properties.

InChI:InChI=1/C11H17NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2

Upstream product

• 96-48-0 4-butanolide 
• 100-46-9 benzylamine 
• 13325-10-5 4-Aminobutanol 
• 100-52-7 benzaldehyde 
• 928-51-8 4-Chloro-1-butanol 
• 64984-60-7 4-oxo-4-[(phenylmethyl)amino]butanoic acid 
• 99858-57-8 4-{[1-Phenyl-meth-(E)-ylidene]-amino}-butan-1-ol 
• 19340-88-6 N-benzyl-4-hydroxybutanamide 
• 2508-29-4 5-hydroxypentylamine 

Downstream Products

• 67-56-1 methanol 
• 103897-19-4 3-benzyltetrahydro-2H-1,3-oxazin-2-one 
• 67-66-3 chloroform 
• 59578-65-3 C₁₁H₁₆N₂O₂ 
• 29897-82-3 N-benzylpyrrolidine 
• 205648-72-2 [Benzyl-(4-hydroxy-butyl)-amino]-acetic acid methyl ester 
• 264218-65-7 (1R,1'S,5R,8aR)-N-benzyl-2-[3-oxo-1-((1'-phenylmethoxy)hexane)-1,5,6,8a-tetrahydro-oxazolo[3,4-a]pyridin-5-yl]-N-4-hydroxy-butyl acetamide 
• 117654-86-1 4-[N-(t-butoxycarbonyl)-N-[(phenyl)methyl]-amino]butan-1-ol 
• 213772-31-7 4-[N-benzyl-N-(tert-butyloxycarbonyl)]-amino-1-butanal 
• 477952-42-4 6-[N-benzyl-N-(tert-butyloxycarbonyl)]amino-2,4-dimethyl-2-nitro-2-hexanone 
• 477952-43-5 (syn/anti)-6-[N-benzyl-N(tert-butyloxycarbonyl)]amino-2,4-dimethyl-2-nitro-3-hexanol 
• 477952-40-2 6-[N-benzyl-N-(tert-butyloxycarbonyl)]amino-3-hydroxy-2-methyl-2-nitrohexane 
• 477952-41-3 6-[N-benzyl-N-(tert-butyloxycarbonyl)]amino-2-methyl-2-nitro-2-hexanone 
• 635304-19-7 toluene-4-sulfonic acid 4-(benzyl-tert-butoxycarbonyl-amino)-butyl ester 

Relevant articles and documents

Cyclic Sulfamidite as Simultaneous Protecting Group for Amino Alcohols: Development of a Mild Deprotection Protocol Using Thiophenol

This study describes the novel utility of cyclic sulfamidite as a simultaneous protecting group for 1,2- or 1,3-amino alcohols. An exceptionally mild and neutral condition for the removal of the cyclic sulfamidite was developed. The deprotection condition demonstrated a broad range of functional-group compatibility, including a substrate bearing a Z-enyne structure without any loss of double-bond stereochemistry.

Formal Total Syntheses of (-)- and (+)-Actinophyllic Acid

The formal total syntheses of (-)-actinophyllic acid and its enantiomer starting from the same chiral intermediate are reported. The synthesis features a photoredox organocatalytic asymmetric alkylation to generate the original C15 chirality, a photocatalytic C-H functionalization of 3-methylindole in flow for constructing the C16 all-carbon quaternary center, a regioselective 1,3-dipolar cycloaddition, and an intramolecular Henry reaction to assemble the pentacyclic core of the target molecule.

Concise, stereodivergent and highly stereoselective synthesis of cis-and trans-2-substituted 3-hydroxypiperidines-development of a phosphite-driven cyclodehydration

A concise (5 to 6 steps), stereodivergent, highly diastereoselective (dr up to >19:1 for both stereoisomers) and scalable synthesis (up to 14 g) of cis- and trans-2-substituted 3-piperidinols, a core motif in numerous bioactive compounds, is presented. This sequence allowed an efficient synthesis of the NK-1 inhibitor L-733,060 in 8 steps. Additionally, a cyclodehydration-realizing simple triethylphosphite as a substitute for triphenylphosphine is developed. Here the stoichiometric oxidized P(V)-byproduct (triethylphosphate) is easily removed during the work up through saponification overcoming separation difficulties usually associated to triphenylphosphine oxide.