Methyl 2-(4-butoxyphenyl)acetate

Name: Methyl 2-(4-butoxyphenyl)acetate
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CAS No. 29056-06-2
Cat. No. CS-0450547
Molecule weight222.28
Purity≥96%
MDL No.MFCD00075839

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Methyl 2-(4-butoxyphenyl)acetate|CS-0450547

Structure of 29056-06-2

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General Information

CAS No. 29056-06-2
Cat. No. CS-0450547
Purity ≥96%
MDL No. MFCD00075839
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₈O₃
Molecular Weight 222.28
Synonym(s) Methyl 4-butoxyphenylacetate
SMILES CCCCOC1=CC=C(C=C1)CC(=O)OC

Description

The side-chain Trt group can be selectively removed with 1% TFA in DCM containing 5% TIS [1, 2] or 20% dichloroacetic acid in DCM [3], enabling the side-chain hydroxyl group to be selectively modified whilst the derivative is attached to the solid support. This is an excellent derivative for the synthesis of phosphoserine containing peptides and peptides modified at the serine side-chain [1]. The use of trityl protected amino acids was shown to result in purer products than when standard t-Bu protected amino acids were utilized [2, 4].The product number for this product was previously 04-12-1092.To obtain a certificate of analysis (CoA) of a lot that begins with the letter A, please select the option in the right hand menu Request a COA for Lot#s starting with A.

Synthesis

Route1
- 109-65-9
- In-stock
  
  14199-15-6
- ~99%
- In-stock
  
  29056-06-2
References
- ASTRAZENECA AB Patent: WO2008/112440 A1, 2008 ; Location in patent: Page/Page column 33 ; WO 2008/112440 A1
Route2
- 67-56-1
- 109-65-9
- In-stock
  
  156-38-7
- ~%
- In-stock
  
  29056-06-2
References
- Freudenreich, Charles; Samama, Jean-Pierre; Biellmann, Jean-Francois Journal of the American Chemical Society, 1984 , vol. 106, # 11 p. 3344 - 3353

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 35.53
LogP 2.581
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-(4-butoxyphenyl)acetate

CAS No. 29056-06-2

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