123910-86-1

Basic information

• Product Name: Methyl 4-(4-hydroxybut-1-ynyl)benzoate
• Synonyms: Methyl 4-(4-hydroxybut-1-ynyl)benzoate
• CAS NO: 123910-86-1
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.22188
• Product Categories: Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 123910-86-1.mol

Chemical Properties

• Melting Point: 95.3-96.3 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 350.6±27.0 °C(Predicted)
• Appearance: /
• Density: 1.18±0.1 g/cm3(Predicted)
• PKA: 14.36±0.10(Predicted)
• CAS DataBase Reference: Methyl 4-(4-hydroxybut-1-ynyl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-(4-hydroxybut-1-ynyl)benzoate(123910-86-1)
• EPA Substance Registry System: Methyl 4-(4-hydroxybut-1-ynyl)benzoate(123910-86-1)

Safety Data

• Hazardous Substances Data: 123910-86-1(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Methyl 4-(4-hydroxybut-1-ynyl)benzoate is used as a reactant in organic synthesis for its ability to undergo various chemical reactions, leading to the formation of a wide range of compounds with diverse applications.
Used in Pharmaceutical Industry:
Methyl 4-(4-hydroxybut-1-ynyl)benzoate is used as a key intermediate in the preparation of mitochondrial complex 1 inhibitors, which have potential as cardiac PET (positron emission tomography) tracers. These tracers are valuable for imaging and diagnosing cardiac conditions, as well as for monitoring the effectiveness of treatments.
Additionally, Methyl 4-(4-hydroxybut-1-ynyl)benzoate is utilized in the synthesis of antifolate drugs, which are important in the treatment of various diseases, including cancer and anemia. Antifolates work by inhibiting the synthesis of essential nucleotides and amino acids, thereby disrupting the growth and replication of cells.

Upstream product

• 619-42-1 4-methoxycarbonylphenyl bromide 
• 927-74-2 3-Butyn-1-ol 
• 1280640-24-5 C₁₄H₁₁NO₄ 
• 619-44-3 methyl 4-iodobenzoate 
• 5390-04-5 pent-1-yn-5-ol 

Downstream Products

• 123910-88-3 methyl 4-(4-hydroxybut-1-yl)benzoate 
• 136527-52-1 methyl 4-(4-acetoxy-1-oxobutyl)benzoate 
• 61495-31-6 4-(4'-carbomethoxyphenyl)butyric acid chloride 
• 948840-13-9 4-[4-(methoxycarbonyl)phenyl]butanoic acid 
• 834857-24-8 chloromethyl 3-(4'-carbomethoxyphenyl)propyl ketone 
• 136784-89-9 methyl 4-[3-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]benzoate 
• 834857-25-9 methyl 4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)propyl]benzoate 
• 106200-41-3 4-(4-carbomethoxyphenyl)butanal 
• 134373-15-2 4-<2-(2,4-diamino-7H-pyrrolo<2,3-d>pyrimidin-5-yl)propyl>benzoic acid 
• 144051-63-8 4-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid 
• 125991-54-0 diethyl N-<4-<3-(2-amino-4(3H)-oxo-7H-pyrrolo<2,3-d>pyrimidin-5-yl)propyl>benzoyl>-L-glutamate 
• 229471-26-5 4-(4-hydroxy-5-nitropentyl)benzoic acid methyl ester 
• 259145-26-1 4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-5-nitropentyl]benzoic acid methyl ester 
• 229471-28-7 4-[5-nitro-4-(2,4,6-triaminopyrimidin-5-yl)pentyl]benzoic acid methyl ester 

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