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61948-85-4,MFCD00051630
Catalog No.:AA003GA4

61948-85-4 | 2-Amino-3,4,5-trimethoxybenzoic acid

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1g
>98.0%(T)(HPLC)
in stock  
$26.00   $18.00
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25g
≥ 97% (HPLC)
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$522.00   $365.00
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  • Technical Information
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  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003GA4
Chemical Name:
2-Amino-3,4,5-trimethoxybenzoic acid
CAS Number:
61948-85-4
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
MDL Number:
MFCD00051630
SMILES:
COc1cc(C(=O)O)c(c(c1OC)OC)N
NSC Number:
81441
Properties
Properties
 
BP:
371°C at 760 mmHg  
Form:
Solid  
MP:
137-141 °C(lit. )  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Alexandre,François-René;Berecibar,Amaya;Besson,Thierry[TetrahedronLetters,2002,vol.43,#21,p.3911-3913]

[2]Liu,Gang;Liu,Chunping;Sun,Lin;Qu,Rongjun;Chen,Hou;Ji,Chunnuan[ChemistryofHeterocyclicCompounds,2007,vol.43,#10,p.1290-1300]

[3]Zhang,Zhichao;Liang,Xiaomeng;Li,Xiangqian;Song,Ting;Chen,Qingbin;Sheng,Hongkun[EuropeanJournalofMedicinalChemistry,2013,vol.69,p.711-718]

[4]Liu,Gang;Hu,De-Yu;Jin,Lin-Hong;Song,Bao-An;Yang,Song;Liu,Ping-Shen;Bhadury,PinakiS.;Ma,Yao;Luo,Hui;Zhou,Xian[BioorganicandMedicinalChemistry,2007,vol.15,#20,p.6608-6617]

[5]Liu,Gang;Sun,Lin;Liu,Chunping;Ji,Chunnuan;Wen,Quanwu;Ma,Songmei[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.759-764]

[6]Gazit,Aviv;Chen,Jeffrey;Harald,App;McMahon,Gerald;Hirth,Peter;Chen,Irit;Levitzki,Alexander[BioorganicandMedicinalChemistry,1996,vol.4,#8,p.1203-1207]

[7]Liu,Fang;Huai,Ziyou;Xia,Guotai;Song,Liuping;Li,Sha;Xu,Yulan;Hong,Kangjun;Yao,Mingyue;Liu,Gang;Huang,Yinjiu[BioorganicandMedicinalChemistryLetters,2018,vol.28,#14,p.2561-2565]

51908-29-3    61948-85-4   
6,7,8-trimethoxy-3-(4-aminosulphonylphenyl)-2-mercapto-3H-quinazolin-4-one 

[1]Bioorganicandmedicinalchemistry,2016,vol.24,p.1402-1407

Literature
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