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CAS No.: | 58304-65-7 |
---|---|
Name: | 1-Chloroisobutyl propionate |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H13ClO2 |
Molecular Weight: | 164.632 |
Synonyms: | 1-Propanol,1-chloro-2-methyl-, propanoate (9CI);1-Chloro-2-methylpropyl propanoate;1-Chloroisobutyl propionate; |
Density: | 1.03 g/cm3 |
Boiling Point: | 166.7 °C at 760 mmHg |
Flash Point: | 56.3 °C |
PSA: | 26.30000 |
LogP: | 2.16050 |
propionyl chloride
isobutyraldehyde
propanoic acid,1-chloro-2-methylpropyl ester
Conditions | Yield |
---|---|
at 0 - 5℃; for 4h; | 38% |
at 0 - 5℃; for 4h; Inert atmosphere; | 38% |
With zinc(II) chloride at -20 - 20℃; for 18h; | 2.7% |
propanoic acid,1-chloro-2-methylpropyl ester
1-(5-(4-chlorophenyl)-3-(2,6-difluoro-3-(propylsulfonamido)benzoyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)-2-methylpropyl propionate
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium hydroxide In N,N-dimethyl-formamide at 10℃; for 3.5h; | 45% |
Stage #1: vemurafenib With potassium hydroxide In N,N-dimethyl-formamide at 10℃; for 0.166667h; Stage #2: propanoic acid,1-chloro-2-methylpropyl ester With tetrabutylammomium bromide In N,N-dimethyl-formamide at 10℃; for 3h; | 45% |
propanoic acid,1-chloro-2-methylpropyl ester
(S)-3-(((tert-butoxycarbonyl)amino)methyl)-5-methylhexanoic acid
(S)-3-(tert-butoxycarbonylamino-methy)-5-methyl-hexanoic acid 2-methyl-1-propionyloxy-propyl ester
Conditions | Yield |
---|---|
Stage #1: (S)-3-(((tert-butoxycarbonyl)amino)methyl)-5-methylhexanoic acid With caesium carbonate In methanol at 20℃; for 4h; Stage #2: propanoic acid,1-chloro-2-methylpropyl ester In N,N-dimethyl-formamide at 50℃; for 5h; | 40% |
Stage #1: (S)-3-(((tert-butoxycarbonyl)amino)methyl)-5-methylhexanoic acid With caesium carbonate In methanol at 20℃; for 4h; Stage #2: propanoic acid,1-chloro-2-methylpropyl ester In N,N-dimethyl-formamide at 50℃; for 5h; | 40% |
Conditions | Yield |
---|---|
32% |
propanoic acid,1-chloro-2-methylpropyl ester
[3-[acetyl(phenylmethoxy)amino]propyl]phosphonic acid
[3-[acetyl(phenylmethoxy)amino]propyl]-phosphonic acid bis[2-methyl-1-(1-oxopropoxy)propyl] ester
Conditions | Yield |
---|---|
With triethylamine; sodium iodide In various solvent(s) at 60℃; for 6h; | 10% |
With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; triethylamine; sodium iodide at 60℃; for 6h; |
propanoic acid,1-chloro-2-methylpropyl ester
2-Butyl-6-ethoxy-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]oxy]quinoxaline-5-carboxylic acid
2-methyl-1-(1-oxopropoxy)propyl-2-butyl-6-ethoxy-3-<<2'-1H-tetrazol-5-yl<1,1'-biphenyl>-4-yl>oxy>-5-quinoxalinecarboxylate
Conditions | Yield |
---|---|
With 4 A molecular sieve; silver(l) oxide 1.) THF, RT, 5 min, 2.) THF, 65 deg C, 18 h; Yield given. Multistep reaction; |
propanoic acid,1-chloro-2-methylpropyl ester
ethyl N-[2-(phosphonomethylamino)-3-(4-biphenylyl)-propionyl]-3-aminopropionate
Ethyl N-{2-[di-(α-propionyloxyisobutyl)-phosphonomethylamino]-3-(4-biphenylyl)-propionyl}-3-aminopropionate
Conditions | Yield |
---|---|
With tetra(n-butyl)ammonium hydrogensulfate; 1,8-diazabicyclo-[5,4,0]-undecane; sodium iodide In acetonitrile at 75℃; for 2h; |
propanoic acid,1-chloro-2-methylpropyl ester
Conditions | Yield |
---|---|
With antimonypentachloride Yield given; | |
With antimonypentachloride In dichloromethane at -15℃; for 0.166667h; Yield given; |
propanoic acid,1-chloro-2-methylpropyl ester
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine; potassium hydrogencarbonate In dichloromethane |
propanoic acid,1-chloro-2-methylpropyl ester
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine In dichloromethane |
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The cas register number of 1-Chloroisobutyl propionate is 58304-65-7. It also can be called as 1-Propanol,1-chloro-2-methyl-, 1-propanoate and the Systematic name about this chemical is (1-chloro-2-methyl-propyl) propanoate.
Physical properties about 1-Chloroisobutyl propionate are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3Å2; (7)Index of Refraction: 1.427; (8)Molar Refractivity: 41.02 cm3; (9)Molar Volume: 159.7 cm3; (10)Polarizability: 16.26x10-24cm3; (11)Surface Tension: 28.3 dyne/cm; (12)Enthalpy of Vaporization: 40.31 kJ/mol; (13)Boiling Point: 166.7 °C at 760 mmHg; (14)Vapour Pressure: 1.77 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)OC(C(C)C)Cl
(2)InChI: InChI=1/C7H13ClO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3
(3)InChIKey: IMIXSAYOLYBZBI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H13ClO2/c1-4-6(9)10-7(8)5(2)3/h5,7H,4H2,1-3H3
(5)Std. InChIKey: IMIXSAYOLYBZBI-UHFFFAOYSA-N