Lot numbers can be found on the outside label of a product:
Methyl 4-bromobenzoate
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CAS No. 619-42-1
- Cat. No. CS-W004846
- Purity≥98%
- MDL No.MFCD00013531
*For research and further manufacturing use only, not for direct human use.
Structure of 619-42-1
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General Information
- CAS No. 619-42-1
- Cat. No. CS-W004846
- Purity ≥98%
- MDL No. MFCD00013531
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇BrO₂
- Molecular Weight 215.04
- Synonym(s) None
- SMILES COC(C1=CC=C(Br)C=C1)=O
Description
Methyl 4-bromobenzoate is a para-substituted aryl bromide. Molecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodobenzoate. The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the geometric method.Methyl 4-bromobenzoate may be used in the following syntheses:Three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogs, employed as antifolates. Methyl 4-tri-n-butylstannylbenzoate.Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate.Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)2 catalyzed reaction with Imidazo[1,2-a]pyridine.Methyl (E)-4-[3-(2-methoxycarbonylvinyl)-thiophen-2-yl]acrylate by reacting with methyl (E)-3-(thiophen-3-y)lacrylate.
Synthesis
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Route1
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67-56-1 -
In-stock
1122-91-4 - ~97%
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In-stock
619-42-1
References
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De Sarkar, Suman; Grimme, Stefan; Studer, Armido Journal of the American Chemical Society, 2010 , vol. 132, p. 1190 - 1191
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Route2
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In-stock
705254-34-8 - ~80%
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In-stock
619-42-1
References
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Yao, Min-Liang; Kabalka, George W.; Blevins, David W.; Reddy, Marepally Srinivasa; Yong, Li Tetrahedron, 2012 , vol. 68, # 19 p. 3738 - 3743
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Route3
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In-stock
99768-12-4 - ~74%
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In-stock
619-42-1
References
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Zhang, Guangyou; Lv, Guanglei; Li, Liping; Chen, Fan; Cheng, Jiang Tetrahedron Letters, 2011 , vol. 52, # 16 p. 1993 - 1995
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.2357
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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