85614-43-3,MFCD04038819
Catalog No.:AA003RU3

85614-43-3 | Methyl 5-allyl-3-methoxysalicylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$18.00   $13.00
- +
10g
98%
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$38.00   $27.00
- +
100g
98%
in stock  
$147.00   $103.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003RU3
Chemical Name:
Methyl 5-allyl-3-methoxysalicylate
CAS Number:
85614-43-3
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD04038819
SMILES:
C=CCc1cc(OC)c(c(c1)C(=O)OC)O
Properties
Properties
 
BP:
324.1 °C at 760 mmHg  
Form:
Solid  
MP:
54-58 °C(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Upstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

[2]Patent:WO2015/15445,2015,A2,.Locationinpatent:Paragraph0138

[1]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

Downstream Synthesis Route

[1]Patent:WO2015/15445,2015,A2.Locationinpatent:Paragraph0134

[2]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

[3]Patent:KR2015/41745,2015,A.Locationinpatent:Paragraph0359-0360

[1]ChemischeBerichte,1940,vol.73,p.1369,1372

85614-43-3   
2-benzyloxy-3-methoxy-5-propyl-benzoicacid 

[1]ChemischeBerichte,1952,vol.85,p.86,88

[1]JournalofMedicinalChemistry,1991,vol.34,p.1612-1624

[2]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

[3]Patent:CN109836351,2019,A.Locationinpatent:Paragraph0017-0018;0020-0021

[1]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

Literature

Title: An improved synthesis of dopamine D2/D3 receptor radioligands [11C]fallypride and [18F]fallypride.

Journal: Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20100601

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 85614-43-3
Tags:85614-43-3 Molecular Formula|85614-43-3 MDL|85614-43-3 SMILES|85614-43-3 Methyl 5-allyl-3-methoxysalicylate
Catalog No.: AA003RU3
85614-43-3,MFCD04038819
85614-43-3 | Methyl 5-allyl-3-methoxysalicylate
Pack Size: 5g
Purity: 95%
in stock
$18.00 $13.00
Pack Size: 10g
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 25g
Purity: 98%
in stock
$38.00 $27.00
Pack Size: 100g
Purity: 98%
in stock
$147.00 $103.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003RU3
Chemical Name: Methyl 5-allyl-3-methoxysalicylate
CAS Number: 85614-43-3
Molecular Formula: C12H14O4
Molecular Weight: 222.2372
MDL Number: MFCD04038819
SMILES: C=CCc1cc(OC)c(c(c1)C(=O)OC)O
Properties
BP: 324.1 °C at 760 mmHg  
Form: Solid  
MP: 54-58 °C(lit.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 251  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Upstream Synthesis Route
85614-43-3    97-53-0 

[1]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

[2]Patent:WO2015/15445,2015,A2,.Locationinpatent:Paragraph0138

85614-43-3    62-53-3    97-53-0 

[1]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

Downstream Synthesis Route
85614-43-3    2216-99-1 

[1]Patent:WO2015/15445,2015,A2.Locationinpatent:Paragraph0134

[2]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

[3]Patent:KR2015/41745,2015,A.Locationinpatent:Paragraph0359-0360

85614-43-3    857599-38-3 

[1]ChemischeBerichte,1940,vol.73,p.1369,1372

85614-43-3   
2-benzyloxy-3-methoxy-5-propyl-benzoicacid 

[1]ChemischeBerichte,1952,vol.85,p.86,88

96619-89-5    85614-43-3 

[1]JournalofMedicinalChemistry,1991,vol.34,p.1612-1624

[2]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

[3]Patent:CN109836351,2019,A.Locationinpatent:Paragraph0017-0018;0020-0021

85614-43-3    62-53-3    97-53-0 

[1]JustusLiebigsAnnalenderChemie,1919,vol.418,p.102

Literature fold

Title: An improved synthesis of dopamine D2/D3 receptor radioligands [11C]fallypride and [18F]fallypride.

Journal: Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine20100601

Building Blocks More >
453-18-9
453-18-9
Methyl fluoroacetate
AA003RXG | MFCD00040096
156515-75-2
156515-75-2
Methylene-bis(4-cyclohexylisocyanate)
AA01X49Z | MFCD00015405
10420-63-0
10420-63-0
N-(2,4-DINITROPHENYL)-L-ALANINE METHYL ESTER
AA003S5B | MFCD00051742
68451-89-8
68451-89-8
N'-(4-Chlorobenzoyloxy)-4-nitrobenzimidamide
AA003S9D | MFCD00105784
3030-47-5
3030-47-5
1,1,4,7,7-Pentamethyldiethylenetriamine
AA003SDK | MFCD00014876
106675-70-1
106675-70-1
N,N'-Dimethoxy-n,n'-dimethyloxamide
AA003SHH | MFCD02326951
7211-57-6
7211-57-6
N-Acetyl-dl-2-amino-n-butyric acid
AA003SLX | MFCD08061297
49548-40-5
49548-40-5
N-Benzyloxycarbonylglycine thioamide
AA003SPP | MFCD03452777
1142-20-7
1142-20-7
Z-Ala-OH
AA003ST2 | MFCD00002640
32953-14-3
32953-14-3
N-Ethylbenzo[d][1,3]dioxol-5-amine
AA003SWW | MFCD00009743
Submit
© 2017 AA BLOCKS, INC. All rights reserved.