50606-96-7

Basic information

• Product Name: 4-N-HEPTYLBENZOYL CHLORIDE
• Synonyms: 4-HEPTYLBENZOYL CHLORIDE 99+%;4-n-Heptylbenzoyl chloride, 98+%;4-n-Heptylbenzoylchloride,96%;4-(Hept-1-yl)benzoyl chloride 95+%;Benzoyl chloride,4-heptyl-;P-HEPTYLBENZOYL CHLORIDE;4-heptyl-benzoylchlorid;LABOTEST-BB LT00159029
• CAS NO: 50606-96-7
• Molecular Formula: C₁₄H₁₉ClO
• Molecular Weight: 238.75
• EINECS: 256-648-1
• Product Categories: Benzoic Acids (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Acid Halides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 50606-96-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 111 °C (0.2 mmHg)
• Flash Point: >230 °F
• Appearance: Clear colorless to brown-orange liquid
• Density: 1.002 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000296mmHg at 25°C
• Refractive Index: n20/D 1.5218(lit.)
• Sensitive: Moisture Sensitive
• BRN: 2092107
• CAS DataBase Reference: 4-N-HEPTYLBENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-HEPTYLBENZOYL CHLORIDE(50606-96-7)
• EPA Substance Registry System: 4-N-HEPTYLBENZOYL CHLORIDE(50606-96-7)

Safety Data

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 50606-96-7(Hazardous Substances Data)

Usage

Description

4-N-Heptylbenzoyl chloride is an organic compound with the chemical formula C20H27ClO2. It is a clear colorless to brown-orange liquid at room temperature. 4-N-HEPTYLBENZOYL CHLORIDE is known for its reactivity in organic synthesis, particularly in the formation of various derivatives.

Uses

Used in Pharmaceutical Industry:
4-N-Heptylbenzoyl chloride is used as a synthetic intermediate for the production of 3-O-acyl derivatives. It is particularly utilized in the synthesis of 3-O-acyl betulinic acid derivatives, which have potential applications in the pharmaceutical industry due to their bioactive properties.
Used in Organic Synthesis:
In the field of organic chemistry, 4-N-Heptylbenzoyl chloride serves as a valuable building block for the creation of various complex organic molecules. Its reactivity allows chemists to introduce heptylbenzoyl moieties into different molecular structures, potentially leading to new compounds with unique properties and applications.
Used in Chemical Research:
4-N-Heptylbenzoyl chloride is also employed in chemical research as a tool to study the reactivity of different functional groups and the formation of new chemical bonds. 4-N-HEPTYLBENZOYL CHLORIDE can be used to investigate reaction mechanisms, optimize reaction conditions, and develop new synthetic routes for the production of various organic compounds.

InChI:InChI=1/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3

Upstream product

• 38350-87-7 4-heptylbenzoic acid 
• 79-37-8 oxalyl dichloride 
• 1078-71-3 heptylbenzene 

Downstream Products

• 49763-67-9 4-heptylbenzaldehyde 
• 81259-60-1 4-Heptyl-benzoic acid 2-nitro-4-propyl-phenyl ester 
• 81259-61-2 4-Heptyl-benzoic acid 4-butyl-2-nitro-phenyl ester 
• 128454-56-8 1,4-bis-<5-(p-heptylbenzoyloxy)pyrimidin-2-yl>benzene 
• 132668-01-0 4-Heptyl-benzoic acid 4-(5-heptyl-[1,3,4]thiadiazol-2-yl)-phenyl ester 
• 74316-65-7 4-Heptyl-benzoic acid 4-(6-oxo-5-pentyl-6H-pyran-2-yl)-phenyl ester 
• 55453-43-5 p-Cyanophenyl-2-chloro-4-(p-heptylbenzoyloxy)-benzoat 
• 86776-54-7 3-fluoro-4-cyanophenyl-4'-n-heptylbenzoate 
• 79887-28-8 4-Heptyl-benzoic acid 4-butoxy-2-nitro-phenyl ester 

Relevant articles and documents

Ni-Catalyzed Aryl Sulfide Synthesis through an Aryl Exchange Reaction

A Ni-catalyzed aryl sulfide synthesis through an aryl exchange reaction between aryl sulfides and a variety of aryl electrophiles was developed. By using 2-pyridyl sulfide as a sulfide donor, this reaction achieved the synthesis of aryl sulfides without using odorous and toxic thiols. The use of a Ni/dcypt catalyst capable of cleaving and forming aryl-S bonds was important for the aryl exchange reaction between 2-pyridyl sulfides and aryl electrophiles, which include aromatic esters, arenol derivatives, and aryl halides. Mechanistic studies revealed that Ni/dcypt can simultaneously undergo oxidative additions of aryl sulfides and aromatic esters, followed by ligand exchange between the generated aryl-Ni-SR and aryl-Ni-OAr species to furnish aryl exchanged compounds.

ALKOXYSILANE COMPOUND, LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT

Provided are an alkoxysilane that is used as a material for liquid crystal alignment films or the like, and a method for producing said alkoxysilane. An alkoxysilane represented by formula (1), wherein a ring structure is linked by an amide bond. (In the formula, Z1, Z2 and Z3 each represent a linear or branched C1-4 hydrocarbon group or the like; Z4 represents H, a methyl group or the like; Y1 represents a single bond, -C(CH3)=CH- or the like; Cy1 represents a phenylene group or the like; Cy2 represents a phenylene group or the like; Z5 represents H, a linear or branched C1-18 hydrocarbon group or the like; a represents an integer of 1-18; m represents 1 or 2; and n represents 0, 1 or 2.)

Highly Efficient Chirality Inductors Based on (5RS,8RS)-trans-5,6,6a,7,8,12b- Hexahydrobenzo[c]phenanthrene-5,8-diol

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