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53774-20-2,MFCD00042650
Catalog No.:AA00D9MT

53774-20-2 | 2-METHYL-3-BUTENOIC ACID

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$9.00   $7.00
- +
5g
95%
in stock  
$37.00   $26.00
- +
25g
95%
in stock  
$168.00   $117.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D9MT
Chemical Name:
2-METHYL-3-BUTENOIC ACID
CAS Number:
53774-20-2
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00042650
SMILES:
CC(C(=O)O)C=C
Properties
Properties
 
BP:
42-43 °C/0.1 mmHg(lit.)  
Form:
Liquid  
MP:
20.44°C (estimate)  
Refractive Index:
n20/D 1.424  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
86.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Morton;Holden[JournaloftheAmericanChemicalSociety,1947,vol.69,p.1677,1679]

(E/Z)-crotylbromide 
  22037-73-6    53774-20-2 

[1]Roberts;Young[JournaloftheAmericanChemicalSociety,1945,vol.67,p.150]Lane;Roberts;Young[JournaloftheAmericanChemicalSociety,1944,vol.66,p.543]

[1]Morton;Holden[JournaloftheAmericanChemicalSociety,1947,vol.69,p.1677,1679]

(E/Z)-crotylbromide 
  124-38-9    53774-20-2 

[1]Vellalath,Sreekumar;Romo,Daniel[IsraelJournalofChemistry,2017,vol.57,#3,p.335-339]

[2]Rossi,R.;Ingrosso,G.[GazzettaChimicaItaliana,1968,vol.98,p.866-883]

[3]Miao,Bukeyan;Ma,Shengming[ChemicalCommunications,2014,vol.50,#25,p.3285-3287]

[1]Locationinpatent:experimentalpartO'Connor,PatrickD.;BinKim;Brimble,MargaretA.[EuropeanJournalofOrganicChemistry,2009,#26,p.4405-4411]

[2]Rossi,R.;Ingrosso,G.[GazzettaChimicaItaliana,1968,vol.98,p.866-883]

[3]Bloodworth;Curtis;Spencer;Tallant[Tetrahedron,1993,vol.49,#13,p.2729-2750]

[4]Andreana,PeterR;McLellan,JasonS;Chen,Yongchen;Wang,PengGeorge[Organicletters,2002,vol.4,#22,p.3875-3878]

[5]Miao,Bukeyan;Ma,Shengming[ChemicalCommunications,2014,vol.50,#25,p.3285-3287]

Literature

Title: 14-Angeloyloxycacalohastine from Psacalium peltatum.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: Pyrrolidinoindoline alkaloids from Selaginella moellendorfii.

Journal: Journal of natural products 20090601

Title: Chemical and genetic differentiation of Ligularia tsangchanensis in Yunnan and Sichuan provinces of China.

Journal: Chemistry & biodiversity 20070301

Title: [Semi-synthesis of derivatives with C-3' and C-4' trans-configuration from (+)-praeruptorin A].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20030501

Title: Combination of chromatographic and spectroscopic methods for the isolation and characterization of polar guaianolides from Achillea asiatica.

Journal: Journal of chromatography. A 20011130

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