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Home Other Building Blocks 5953-76-4
5953-76-4,MFCD00063645
Catalog No.:AA003NTI

5953-76-4 | Angelic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$62.00   $44.00
- +
5g
98%
in stock  
$145.00   $102.00
- +
25g
98%
in stock  
$344.00   $241.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003NTI
Chemical Name:
Angelic acid methyl ester
CAS Number:
5953-76-4
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00063645
SMILES:
COC(=O)/C(=C\C)/C
NSC Number:
55277
Properties
Properties
 
BP:
130 °C  
Form:
Liquid  
Refractive Index:
1.4310-1.4340  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
114  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Freri[1938,p.Bd.3,S.152]

5953-76-4    2307-12-2    10496-15-8   
methyl3-(hexylthio)-2-methylbutyrate 

[1]Lee;Choi;Yoon[SyntheticCommunications,1996,vol.26,#11,p.2189-2196]

[1]Nicolaou;Nevalainen,Marta;Zak,Mark;Bulat,Stephan;Bella,Marco;Safina,BrianS.[AngewandteChemie-InternationalEdition,2003,vol.42,#29,p.3418-3424]

[2]Shimura,Jun;Ando,Yoshio;Ohmori,Ken;Suzuki,Keisuke[OrganicLetters,2022,vol.24,#7,p.1439-1443]

[3]Locationinpatent:experimentalpartShirota,Osamu;Oribello,JenniferM.;Sekita,Setsuko;Satake,Motoyoshi[JournalofNaturalProducts,2011,vol.74,#3,p.470-476]

[4]Nicolaou;Safina,BrianS.;Zak,Mark;Lee,SangHyup;Nevalainen,Marta;Bella,Marco;Estrada,AnthonyA.;Funke,Christian;Zecri,FredericJ.;Bulat,Stephan[JournaloftheAmericanChemicalSociety,2005,vol.127,#31,p.11159-11175]

[1]CurrentPatentAssignee:LEOFONDET-WO2012/10172,2012,A1Locationinpatent:Page/Pagecolumn55-56

182344-29-2    5953-76-4   
methyl3-(4'-ethoxybiphenyl-4-yl)-2-methylbutanoate 

[1]Caldarelli,Marina;Laze,Loris;Piazza,Lavinia;Caputo,Giulia;DeAmici,Marco;Papeo,Gianluca[TetrahedronLetters,2022,vol.103]

Literature
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SDS
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