1,1,3-Propanetricarboxylicacid, 1,1-diethyl 3-methyl ester
1,1,3-Propanetricarboxylicacid, 1,1-diethyl 3-methyl ester structure
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Common Name | 1,1,3-Propanetricarboxylicacid, 1,1-diethyl 3-methyl ester | ||
|---|---|---|---|---|
| CAS Number | 5331-68-0 | Molecular Weight | 246.25700 | |
| Density | 1.114g/cm3 | Boiling Point | 277.7ºC at 760mmHg | |
| Molecular Formula | C11H18O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 115ºC | |
Summary: 1,1,3-Propanetricarboxylicacid, 1,1-diethyl 3-methyl ester (Chinese name: 1,1,3-丙烷三羧酸二乙基甲酯, CAS number: 5331-68-0, molecular formula: C11H18O6, molecular weight: 246.26) For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.114g/cm3 |
|---|---|
| Boiling Point | 277.7ºC at 760mmHg |
| Molecular Formula | C11H18O6 |
| Molecular Weight | 246.25700 |
| Flash Point | 115ºC |
| Exact Mass | 246.11000 |
| PSA | 78.90000 |
| LogP | 0.68200 |
| Index of Refraction | 1.44 |
| InChIKey | HRDIKQFHFOTXDL-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(CCC(=O)OC)C(=O)OCC |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~87%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Sizov, A. Yu.; Dombrovskii, V. A.; Yanovskaya, L. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 5.1 p. 955 - 961 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 5 p. 1073 - 1079 |
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~85%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Sizov, A. Yu.; Dombrovskii, V. A.; Yanovskaya, L. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 5.1 p. 955 - 961 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 5 p. 1073 - 1079 |
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~83%
1,1,3-Propanetr... CAS#:5331-68-0
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| Literature: Hida, Tetsunari; Komura, Kenichi; Sugi, Yoshihiro Bulletin of the Chemical Society of Japan, 2011 , vol. 84, # 9 p. 960 - 967 |
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~49%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Nawghare, Beena R.; Lokhande, Pradeep D. Synthetic Communications, 2013 , vol. 43, # 14 p. 1955 - 1963 |
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~91%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Roberts, Bryan W.; Ross, Mark; Wong, Janice Journal of the Chemical Society, Chemical Communications, 1980 , # 10 p. 428 - 429 |
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~70%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Chande, Madhukar S.; Khanwelkar, Rahul R. Tetrahedron Letters, 2005 , vol. 46, # 45 p. 7787 - 7792 |
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~%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Evstigneeva,R.P. et al. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, # 2 p. 441 - 443,400 - 402 |
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~%
1,1,3-Propanetr... CAS#:5331-68-0 |
| Literature: Okuda Bulletin of the Chemical Society of Japan, 1959 , vol. 32, p. 931 |
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~%
1,1,3-Propanetr... CAS#:5331-68-0
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| Literature: Beugelmans, Rene; Lechevallier, Andre; Rousseau, Herve Tetrahedron Letters, 1984 , vol. 25, # 22 p. 2347 - 2350 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 1 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| propane-1,1,3-tricarboxylic acid-1,1-diethyl ester-3-methyl ester |
| diethyl [2-(4-acetoxyphenoxy)ethyl]phosphonate |
| Propan-1.1-dicarbonsaeurediaethylester-3-carbonsaeuremethylester |
| (Diethyl-3-methyl)-1,1,3-propantricarboxylat |
| Phosphonic acid,(6-(4-hydroxyphenoxy)hexyl)-,diethyl ester |
| Propan-1,1,3-tricarbonsaeure-1,1-diaethylester-3-methylester |
| diethyl (2-methoxycarbonylethyl)malonate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: Boiling point of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is 277.7ºC at 760mmHg. |
| Q: What are the upstream materials of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: Related upstream materials(CAS) of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester: 292638-85-8;105-53-3;996-82-7;541-41-3;62054-77-7;6001-87-2;603-67-8. |
| Q: What English synonyms does 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester have? |
| A: English synonyms of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester: propane-1,1,3-tricarboxylic acid-1,1-diethyl ester-3-methyl ester, diethyl [2-(4-acetoxyphenoxy)ethyl]phosphonate, Propan-1.1-dicarbonsaeurediaethylester-3-carbonsaeuremethylester, (Diethyl-3-methyl)-1,1,3-propantricarboxylat, Phosphonic acid,(6-(4-hydroxyphenoxy)hexyl)-,diethyl ester, Propan-1,1,3-tricarbonsaeure-1,1-diaethylester-3-methylester, diethyl (2-methoxycarbonylethyl)malonate. |
| Q: What is the polar surface area (PSA) of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: Polar surface area (PSA) of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is 78.90000. |
| Q: What is the SMILES notation of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: SMILES notation of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is CCOC(=O)C(CCC(=O)OC)C(=O)OCC. |
| Q: What are the downstream products of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: Related downstream products(CAS) of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester: 113203-28-4. |
| Q: What is the CAS number of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: CAS number of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is 5331-68-0. |
| Q: What is the LogP of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: LogP of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is 0.68200. |
| Q: What is the molecular formula of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: Molecular formula of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is C11H18O6. |
| Q: What is the English name of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester? |
| A: The English name of 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester is 1,1,3-propanetricarboxylic acid, 1,1-diethyl 3-methyl ester. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |