Conditions | Yield |
---|---|
With tert-butylhypochlorite; lead acetate; dibenzoyl peroxide In toluene at 20℃; for 0.666667h; | 92% |
Conditions | Yield |
---|---|
With thionyl chloride | 70% |
With tetrachlorosilane at 50 - 55℃; for 7h; | 63% |
With thionyl chloride zuletzt bei 70-90grad; |
Conditions | Yield |
---|---|
With phosphorus trichloride at 40 - 50℃; 4-5h; | A n/a B 67.5% |
With phosphorus trichloride at 40 - 50℃; 4-5h; | A 14.2% B 48.7% |
4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine
B
n-valeryl chloride
Conditions | Yield |
---|---|
A 48% B n/a |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride Yield given. Multistep reaction; |
pent-2-enoic acid
n-valeryl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; palladium on activated charcoal 2: oxalyl dichloride / Inert atmosphere View Scheme |
Conditions | Yield |
---|---|
With aluminium trichloride In dichloromethane for 15h; Ambient temperature; | 100% |
(p-MeOC6H4)2BSbCl6 In dichloromethane for 24h; Ambient temperature; | 88% |
With aluminium trichloride In tetrachloromethane at 0℃; for 2h; | 87% |
1,2,3-Benzotriazole
n-valeryl chloride
1H-1,2,3-benzotriazol-1-yl(n-butyl)methanone
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 0.5h; Cooling; | 100% |
With triethylamine In dichloromethane cooling; | 91% |
at 80 - 100℃; for 0.25h; | 79% |
n-valeryl chloride
1-(2-benzothiophenyl)cyclohexylamine
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 1h; Ambient temperature; | 100% |
n-valeryl chloride
2-carbomethoxyaniline
methyl 2-(valerylamino)benzoate
Conditions | Yield |
---|---|
With triethylamine In chloroform at 0℃; for 4h; | 100% |
With potassium carbonate In benzene Heating; | 82% |
Conditions | Yield |
---|---|
With pyridine at 20℃; for 12h; | 100% |
With pyridine for 12h; | 99% |
n-valeryl chloride
4-hydroxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
Conditions | Yield |
---|---|
With pyridine at 20℃; for 12h; | 100% |
1-amino-1-cyanocyclopentane
n-valeryl chloride
1-cyano-1-n-pentanoylaminocyclopentane
Conditions | Yield |
---|---|
With triethylamine In toluene at 20 - 80℃; | 100% |
With triethylamine In dichloromethane | |
With triethylamine In dichloromethane | |
Stage #1: 1-amino-1-cyanocyclopentane; n-valeryl chloride With triethylamine In dichloromethane at 5 - 20℃; for 3h; Stage #2: In water |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 14h; Inert atmosphere; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere; | 100% |
n-valeryl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 6h; | 100% |
methyl piperidine-2-carboxylate hydrochloride
n-valeryl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere; | 100% |
(S)-4-Benzyl-2-oxazolidinone
n-valeryl chloride
3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone
Conditions | Yield |
---|---|
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran at -70 - -65℃; for 0.5h; Inert atmosphere; Stage #2: n-valeryl chloride In tetrahydrofuran at -75 - -65℃; for 1h; | 99.9% |
With dmap; triethylamine In dichloromethane at 0 - 10℃; for 3h; Large scale; | 98% |
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; Inert atmosphere; Stage #2: n-valeryl chloride In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; | 95% |
N-((2'-cyano[1,1'-biphenyl]-4-yl)methyl)-L-valine methyl ester hydrochloride
n-valeryl chloride
methyl 2-(N-((2'-cyanobiphenyl-4-yl)methyl)pentanamido)-3-methylbutanoate
Conditions | Yield |
---|---|
With potassium carbonate; sodium chloride In 5,5-dimethyl-1,3-cyclohexadiene; water at 20 - 28℃; Solvent; Reagent/catalyst; | 99.2% |
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 5℃; for 1h; | |
Stage #1: N-((2'-cyano[1,1'-biphenyl]-4-yl)methyl)-L-valine methyl ester hydrochloride With potassium carbonate In o-xylene; water at 25 - 35℃; for 1.33333h; Industry scale; Stage #2: n-valeryl chloride In o-xylene at 25 - 35℃; Industry scale; |
1-phenyl-2-methylpropane
n-valeryl chloride
1-(4-isobutylphenyl)pentan-1-one
Conditions | Yield |
---|---|
Stage #1: n-valeryl chloride With aluminium trichloride In dichloromethane at 0℃; for 0.5h; Stage #2: 1-phenyl-2-methylpropane In dichloromethane at 0℃; for 1h; Friedel-Crafts acylation; | 99.1% |
Stage #1: 1-phenyl-2-methylpropane; n-valeryl chloride In Petroleum ether at 20℃; for 0.25h; Stage #2: With trifluorormethanesulfonic acid In Petroleum ether for 10h; Reflux; | 79.6% |
With sodium hydrogencarbonate; aluminium chloride In dichloromethane |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 2h; Cooling with ice; | 99% |
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; | 99% |
With benzene |
Conditions | Yield |
---|---|
Stage #1: n-valeryl chloride; methyl salicylate; aluminum (III) chloride In carbon disulfide at 5 - 20℃; for 20h; Stage #2: With hydrogenchloride In water at 0℃; | 99% |
With aluminium trichloride; nitrobenzene |
4-chlorobenzenesulfonyl chloride
n-valeryl chloride
methyl 5-chloro-2-valerylaminobenzoate
Conditions | Yield |
---|---|
With triethylamine In chloroform at 0℃; for 4h; | 99% |
With sodium hydrogencarbonate; triethylamine In dichloromethane; water | 61% |
2-amino-5-methylbenzoic acid methyl ester
n-valeryl chloride
methyl 5-methyl-2-valerylaminobenzoate
Conditions | Yield |
---|---|
With hydrogenchloride; sodium carbonate; triethylamine In dichloromethane; water | 99% |
With triethylamine In chloroform at 0℃; for 4h; | 62% |
n-valeryl chloride
3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone
Conditions | Yield |
---|---|
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: n-valeryl chloride In tetrahydrofuran; hexane at 20℃; for 15h; | 99% |
1-aminocyclopentane-1-carboxamide
n-valeryl chloride
1-(pentanoylamino)cyclopentanecarboxamide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane; water at 0 - 20℃; | 99% |
With triethylamine In tetrahydrofuran at 10 - 30℃; for 1h; | 87.3% |
With triethylamine In dichloromethane at 0℃; |
(S)-4-Benzyl-2-oxazolidinone
n-valeryl chloride
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; ethyl acetate | 99% |
Methyl 3-aminothiophene-2-carboxylate
n-valeryl chloride
methyl 3-pentanoylaminothiophene-2-carboxylate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 16h; | 99% |
With pyridine |
n-valeryl chloride
6-fluoro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one
Conditions | Yield |
---|---|
With pyridine at 0 - 20℃; Inert atmosphere; | 99% |
6-chloro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one
n-valeryl chloride
6-chloro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one
Conditions | Yield |
---|---|
With pyridine at 0 - 20℃; Inert atmosphere; | 99% |
n-valeryl chloride
8-chloro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one
Conditions | Yield |
---|---|
With pyridine at 0 - 20℃; Inert atmosphere; | 99% |
(4-phenyl-3'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,4′]bipyridinyl-2′-yl)hydrazine
n-valeryl chloride
N'-[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pentanehydrazide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 0.166667h; | 99% |
2-amino-5-bromo-N-ethylbenzamide
n-valeryl chloride
Conditions | Yield |
---|---|
Stage #1: 2-amino-5-bromo-N-ethylbenzamide With triethylamine In dichloromethane for 0.166667h; Inert atmosphere; Stage #2: n-valeryl chloride In dichloromethane at 0 - 20℃; | 99% |
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 82% |
Stage #1: 2-amino-5-bromo-N-ethylbenzamide With triethylamine In dichloromethane Inert atmosphere; Stage #2: n-valeryl chloride In dichloromethane at 0 - 20℃; | 82% |
n-valeryl chloride
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 25℃; for 2h; | 99% |
With triethylamine In tetrahydrofuran at 0 - 25℃; for 2h; | 99% |
With triethylamine In tetrahydrofuran at 25℃; for 2h; | 99% |
With triethylamine In tetrahydrofuran at 0 - 25℃; for 2h; | 99% |
n-valeryl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; | 99% |
n-valeryl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; | 99% |
n-valeryl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; | 99% |
The Valeryl chloride, with the CAS registry number 638-29-9 and EINECS registry number 211-330-1, has the systematic name of pentanoyl chloride. And the molecular formula of this chemical is C5H9ClO. It is a kind of clear colorless to light yellow liquid which is sensitive to moisture, and it belongs to the following product categories: Acid chlorides; Acid Halides; Carbonyl Compounds; Organic Building Blocks.
The physical properties of Valeryl chloride are as following: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.33; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 311.1; (8)ACD/KOC (pH 7.4): 311.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 30.09 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 11.92×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 32.8 °C; (20)Enthalpy of Vaporization: 36.62 kJ/mol; (21)Boiling Point: 128.4 °C at 760 mmHg; (22)Vapour Pressure: 10.6 mmHg at 25°C.
Preparation and uses of Valeryl chloride: It can be prepared by valeric acid and phosphorus trichloride. And it is usually used as acylating agent in organic synthesis. What's more, it is used as liquid crystal intermediate and medicine intermediate as well.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and harmful by inhalation. It may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCC
(2)InChI: InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
(3)InChIKey: XGISHOFUAFNYQF-UHFFFAOYAR
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View