121114-45-2

Basic information

• Product Name: Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate
• Synonyms: Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate;3-[3-(Methoxycarbonyl)phenyl]prop-2-yn-1-ol
• CAS NO: 121114-45-2
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.1953
• Mol File: 121114-45-2.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate(121114-45-2)
• EPA Substance Registry System: Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate(121114-45-2)

Safety Data

• Hazardous Substances Data: 121114-45-2(Hazardous Substances Data)

Upstream product

• 618-91-7 methyl 3-iodo-benzoate 
• 107-19-7 propargyl alcohol 

Downstream Products

• 1025933-76-9 3-[3-(8-oxo-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-prop-1-ynyl]-benzoic acid methyl ester 
• 1026558-47-3 3-[3-(8-oxo-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-propyl]-benzoic acid methyl ester 
• 165801-56-9 3-[3-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-propyl]-benzoic acid methyl ester 
• 85430-82-6 methyl 3-(3-bromopropyl)benzoate 
• 272130-56-0 3-(3-bromo-prop-1-ynyl)-benzoic acid methyl ester 
• 85431-06-7 methyl 3-(3-hydroxypropyl)benzoate 

Relevant articles and documents

Catalytic Access to Functionalized Allylic gem-Difluorides via Fluorinative Meyer–Schuster-Like Rearrangement

An unprecedented approach for efficient synthesis of functionalized allylic gem-difluorides via catalytic fluorinative Meyer–Schuster-like rearrangement is disclosed. This transformation proceeded with readily accessible propargylic fluorides, and low-cost B–F reagents and electrophilic reagents by sulfide catalysis. A series of iodinated, brominated, and trifluoromethylthiolated allylic gem-difluorides that were difficult to access by other methods were facilely produced with a wide range of functional groups. Importantly, the obtained iodinated products could be incorporated into different drugs and natural products, and could be expediently converted into many other valuable gem-difluoroalkyl molecules as well. Mechanistic studies revealed that this reaction went through a regioselective fluorination of alkynes followed by a formal 1,3-fluorine migration under the assistance of the B–F reagents to give the desired products.

5-Substituted isoquinoline derivatives

A compound represented by the following formula (1) or a salt thereof: wherein R1 represents hydrogen atom, a halogen atom and the like; R2 represents hydrogen atom, a halogen atom, a C1-6 alkyl group and the like; and R3 represents —O—X—C(A1)(A11)—C(A2)(A2l)—N(A3l)(A3)(X represents propylene group etc., A11 and A21 represent hydrogen atom, or a C1-6 alkyl group, A31 represents a C1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A1, A2, and A3 represent hydrogen atom, a C1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.