4-Heptanol supplier | CasNO.589-55-9

Name
4-Heptanol
EINECS 209-651-7
CAS No. 589-55-9
Article Data148
CAS DataBase
Density 0.818 g/cm³
Solubility 4.753g/L(20 oC)
Melting Point -41.5 °C
Formula C₇H₁₆O
Boiling Point 161.3 °C at 760 mmHg
Molecular Weight 116.203
Flash Point 61.8 °C
Transport Information
Appearance colourless liquid
Safety 39-26-16
Risk Codes 10-36
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Heptylalcohol;Dipropylcarbinol;NSC 8695;
PSA 20.23000
LogP 1.94750

Synthetic route

: 123-19-3
4-heptanone

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
ruthenium complex In isopropyl alcohol at 82℃; for 24h; Inert atmosphere;	99%
With tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; potassium carbonate In water; isopropyl alcohol at 100℃; under 22502.3 Torr; for 17h; Inert atmosphere;	99%
With sodium tetrahydroborate; sodium hydroxide In water at 35℃; for 0.5h; pH=12; Reagent/catalyst; Green chemistry;	99%

: 623-42-7
butanoic acid methyl ester

: 927-77-5
n-propylmagnesium bromide

: (E)-2-methyl-1-propylcyclopropanol

: (Z)-2-methyl-1-propylcyclopropanol

C: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With titanium(IV) isopropylate In tetrahydrofuran at -78 - 0℃; Product distribution; Further Variations:; Reaction partners; Reagents; Solvents; Temperatures;	A 68% B n/a C n/a

...Expand

: 144989-77-5
(Z)-4-ethoxy-hept-3-ene

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With chloro-trimethyl-silane; Benzyltriethylammonium borohydride; oxygen In dichloromethane at 0℃; for 3h;	65%

: 91322-93-9
2,2-dipropyl-3-(2-hydroxyethyl)oxazolidine

A: 589-55-9
heptan-4-ol

B: 91322-89-3
1-(2-hydroxyethyl)-2-propyl-3-ethylpyrrole

C: 111-42-2
2,2'-iminobis[ethanol]

Conditions

Conditions	Yield
With potassium hydroxide Reflux;	A n/a B 64% C n/a

...Expand

: 123-19-3
4-heptanone

: 927-77-5
n-propylmagnesium bromide

A: 589-55-9
heptan-4-ol

B: 2198-72-3
4-propylheptan-4-ol

Conditions

Conditions	Yield
With titanium(IV) isopropylate In diethyl ether at 20℃; for 2h;	A 15% B 60%

...Expand

: 927-77-5
n-propylmagnesium bromide

: 123-72-8
butyraldehyde

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
	60%

: 123-19-3
4-heptanone

: 91322-93-9
2,2-dipropyl-3-(2-hydroxyethyl)oxazolidine

A: 589-55-9
heptan-4-ol

B: 91322-89-3
1-(2-hydroxyethyl)-2-propyl-3-ethylpyrrole

Conditions

Conditions	Yield
With potassium hydroxide at 150 - 200℃; for 8h; Further byproducts given;	A n/a B 41%

...Expand

: 142-82-5
n-heptane

A: 589-82-2
heptan-3-ol

B: 52390-72-4, 543-49-7
2-Heptanol

C: 589-55-9
heptan-4-ol

D: 111-70-6
n-heptan1ol

Conditions

Conditions	Yield
With iron (III) meso-tetrakis (2,6-dichlorophenylporphyrin-β-octabromo)chloride; iodosylbenzene In dichloromethane at 20℃; for 1h; Product distribution; other iron-porphyrins; other alkane;	A 28% B 29.5% C 11% D 1.5%
With iodosylbenzene; MnTTPPP(OAc) In benzene at 25℃; for 7h; Mechanism; other catalysts and regioselectivity investigated; various oxidants also investigated;
With iodosylbenzene; Mn(TTMPP)OAc at 25℃; Product distribution; Rate constant; other catalysts, oxidant;

...Expand

: 142-82-5
n-heptane

A: 110-43-0
n-pentyl methyl ketone

B: 589-82-2
heptan-3-ol

C: 52390-72-4, 543-49-7
2-Heptanol

D: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With [PPh4]2[MnV(N)(CN)4]; tetrabutylammonium periodite; acetic acid In 2,2,2-trifluoroethanol at 23℃; Inert atmosphere;	A 25% B 26% C 27% D 14%
With iodosylbenzene; 5,10,15,20-tetraphenyl-21 H,23-H-porphine manganese(III)chloride In benzene for 2h; Ambient temperature; anaerobic cond.; Further byproducts given;	A 1% B 15% C 12.5% D 4%
With iodosylbenzene; meso-tetraphenylporphyrin iron(III) chloride In benzene at 20℃; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 142-82-5
n-heptane

A: 110-43-0
n-pentyl methyl ketone

B: 589-82-2
heptan-3-ol

C: 52390-72-4, 543-49-7
2-Heptanol

D: 589-55-9
heptan-4-ol

E: 106-35-4
heptan-3-one

Conditions

Conditions	Yield
With [PPh4]2[MnV(N)(CN)4]; dihydrogen peroxide; acetic acid In 2,2,2-trifluoroethanol at 23℃; for 5h; Reagent/catalyst; Inert atmosphere;	A 15% B 25% C 22% D 13% E 17%
With iodosylbenzene; C51H13ClF19FeN4O2S In acetonitrile for 1h; Darkness;	A n/a B 10.3 %Chromat. C 11.5 %Chromat. D 6.2 %Chromat. E n/a

...Expand

: 142-82-5
n-heptane

A: 123-19-3
4-heptanone

B: 110-43-0
n-pentyl methyl ketone

C: 589-82-2
heptan-3-ol

D: 52390-72-4, 543-49-7
2-Heptanol

E: 589-55-9
heptan-4-ol

F: 106-35-4
heptan-3-one

Conditions

Conditions	Yield
With iodosylbenzene In chloroform; acetonitrile at 0.26℃; for 1.5h; Reagent/catalyst; Darkness; regioselective reaction;	A 9% B 18% C 22% D 18% E 11% F 15%
With iodosylbenzene In chloroform; acetonitrile at 0.26℃; for 1.5h; Reagent/catalyst; Darkness; regioselective reaction;	A 9% B 21% C 14% D 15% E 7% F 15%
With iodosylbenzene In chloroform; acetonitrile at 0.26℃; for 1.5h; Darkness; regioselective reaction;	A 10% B 19% C 19% D 16% E 9% F 16%

...Expand

: 142-82-5
n-heptane

A: 123-19-3
4-heptanone

B: 110-43-0
n-pentyl methyl ketone

C: 589-82-2
heptan-3-ol

D: 589-55-9
heptan-4-ol

E: 106-35-4
heptan-3-one

Conditions

Conditions	Yield
With 5,10,15,20-tetrakis(3-pyridyl)porphyrinatomanganese(III) chloride; iodosylbenzene In chloroform; acetonitrile at 0.26℃; for 1.5h; Darkness; regioselective reaction;	A 9% B 17% C 11% D 11% E 17%

...Expand

: 142-82-5
n-heptane

A: 110-43-0
n-pentyl methyl ketone

B: 589-82-2
heptan-3-ol

C: 589-55-9
heptan-4-ol

D: 106-35-4
heptan-3-one

Conditions

Conditions	Yield
With iodosylbenzene; C44H36MnN8(5+)*5Cl(1-) In chloroform; acetonitrile at 0.26℃; for 1.5h; Darkness; regioselective reaction;	A 8% B 5% C 5% D 7%
With Cumene hydroperoxide; Fe(III)(BH1)(Cl) In benzene at 20℃; Yield given. Further byproducts given. Yields of byproduct given;
With Cumene hydroperoxide; meso-tetraphenylporphyrin iron(III) chloride In benzene at 20℃; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 10599-55-0
2-propenylfuran

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With nickel at 175℃; Hydrogenation;

: 60-29-7
diethyl ether

: 123-19-3
4-heptanone

: 920-39-8
isopropylmagnesium bromide

A: 589-55-9
heptan-4-ol

B: 51200-82-9
4-isopropyl-heptan-4-ol

...Expand

: 60-29-7
diethyl ether

: 123-19-3
4-heptanone

: 927-77-5
n-propylmagnesium bromide

A: 187737-37-7
propene

B: 589-55-9
heptan-4-ol

C: 2198-72-3
4-propylheptan-4-ol

...Expand

: 60-29-7
diethyl ether

: 123-19-3
4-heptanone

: 10557-57-0
propylmagnesium iodide

A: 589-55-9
heptan-4-ol

B: 2198-72-3
4-propylheptan-4-ol

...Expand

: 60-29-7
diethyl ether

: 123-19-3
4-heptanone

: n-propylmagnesium bromide

A: 589-55-9
heptan-4-ol

B: 2198-72-3
4-propylheptan-4-ol

...Expand

: 60-29-7
diethyl ether

: 123-19-3
4-heptanone

: propyl magnesium (1+); chloride

A: 589-55-9
heptan-4-ol

B: 2198-72-3
4-propylheptan-4-ol

...Expand

: 60-29-7
diethyl ether

: 17658-32-1
1-chloro-2-pentanol

: 925-90-6
ethylmagnesium bromide

: 589-55-9
heptan-4-ol

...Expand

: 123-19-3
4-heptanone

: 927-77-5
n-propylmagnesium bromide

: 589-55-9
heptan-4-ol

: 123-19-3
4-heptanone

: 555-31-7
aluminum isopropoxide

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
Hydrogenation;

: 17658-32-1
1-chloro-2-pentanol

: 925-90-6
ethylmagnesium bromide

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With diethyl ether unter Luftabschluss;

: 123-19-3
4-heptanone

: 107-08-4
1-iodo-propane

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With zinc

: 927-77-5
n-propylmagnesium bromide

: 1619-62-1
2,2-dimethylmalonic acid diethyl ester

A: 5,5-dimethyl-nonane-4,6-diol

B: 589-55-9
heptan-4-ol

C: 2198-72-3
4-propylheptan-4-ol

...Expand

: 2234-82-4
1-propylmagnesium chloride

: 1619-62-1
2,2-dimethylmalonic acid diethyl ester

: 589-55-9
heptan-4-ol

: 2234-82-4
1-propylmagnesium chloride

: 1619-62-1
2,2-dimethylmalonic acid diethyl ester

A: 7379-12-6
n-propyl isopropyl ketone

B: 123-19-3
4-heptanone

C: 589-55-9
heptan-4-ol

D: 97-62-1
Ethyl isobutyrate

Conditions

Conditions	Yield
Produkt 5: Tripropylcarbinol; Produkt 6: 5.5-Dimethyl-nonandiol-(4.6);

...Expand

: 628-91-1
di-n-propyl zinc

: 141-75-3
butyryl chloride

: 589-55-9
heptan-4-ol

: 109-94-4
formic acid ethyl ester

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With magnesium bromide

: 71-36-3
butan-1-ol

: 589-55-9
heptan-4-ol

Conditions

Conditions	Yield
With soda lime at 400℃; under 29420.3 Torr;

: 589-55-9
heptan-4-ol

: 123-19-3
4-heptanone

Conditions

Conditions	Yield
With cerium(III) sulfate; barium bromate In water; acetonitrile for 3.3h; Heating;	100%
With chlorine dioxide In n-heptane at 30℃; Kinetics;	95%
With 3,3-dichloro-1,2-diphenylcyclopropene; dimethyl sulfoxide; triethylamine In dichloromethane at -78 - 20℃; Inert atmosphere;	95%

: 589-55-9
heptan-4-ol

: 287728-91-0
N-benzyloxycarbonylaminophthalimide

: N-1'-(propyl)butyl-N-benzyloxycarbonylaminophthalimide

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; Mitsunobu reaction;	92%

: 591-50-4
iodobenzene

: 589-55-9
heptan-4-ol

: (heptan-4-yloxy)benzene

Conditions

Conditions	Yield
With copper(l) iodide; potassium phosphate tribasic; 4-pyrrolidin-1-ylpyridine In toluene at 140℃; for 10h; Catalytic behavior; Reagent/catalyst; Ullmann Condensation; Inert atmosphere; Sealed tube;	92%

: 589-55-9
heptan-4-ol

: 530-62-1
1,1'-carbonyldiimidazole

: 1354652-34-8
C11H18N2O2

Conditions

Conditions	Yield
In toluene at 20 - 60℃; for 6h; Inert atmosphere;	88%

: 75-15-0
carbon disulfide

: 589-55-9
heptan-4-ol

: 100-63-0
phenylhydrazine

: 1138320-57-6
N'-phenylhydrazinecarbodithioic acid 1-propylbutyl ester

Conditions

Conditions	Yield
Stage #1: carbon disulfide; phenylhydrazine In dimethyl sulfoxide at 20℃; for 0.5h; Inert atmosphere; Stage #2: heptan-4-ol With triphenylphosphine; diethylazodicarboxylate In dimethyl sulfoxide at 20℃; for 1.5h; Mitsunobu reaction; Inert atmosphere; chemoselective reaction;	87%

...Expand

: 75-15-0
carbon disulfide

: 589-55-9
heptan-4-ol

: 122-97-4
3-Phenyl-1-propanol

: O,S-1-propylbutyl-3-phenylpropyl dithiocarbonate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; heptan-4-ol With triphenylphosphine; diethylazodicarboxylate In dimethyl sulfoxide at 20℃; Stage #2: 3-Phenyl-1-propanol In dimethyl sulfoxide at 20℃; for 5h;	86%

...Expand

: 589-55-9
heptan-4-ol

: 124-38-9
carbon dioxide

: 100-63-0
phenylhydrazine

: 40887-25-0
N'-phenylhydrazine carboxylic acid 1-propylbutyl ester

Conditions

Conditions	Yield
Stage #1: carbon dioxide; phenylhydrazine In dimethyl sulfoxide at 20℃; for 0.5h; Inert atmosphere; Stage #2: heptan-4-ol With triphenylphosphine; diethylazodicarboxylate In dimethyl sulfoxide at 20℃; for 2.5h; Mitsunobu reaction; Inert atmosphere; chemoselective reaction;	86%

...Expand

: 589-55-9
heptan-4-ol

: 122-97-4
3-Phenyl-1-propanol

: 124-38-9
carbon dioxide

: C17H26O3

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In dimethyl sulfoxide for 5h;	85%

...Expand

: 75-15-0
carbon disulfide

: 589-55-9
heptan-4-ol

: sodium O-(1-propylbutyl) carbonodithioate

Conditions

Conditions	Yield
Stage #1: heptan-4-ol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: carbon disulfide In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	84%

: 589-55-9
heptan-4-ol

: 92326-42-6
1,2-di(heptan-4-ylidene)hydrazine

Conditions

Conditions	Yield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrazine hydrate In toluene at 125℃; for 12h; Schlenk technique; Molecular sieve; Inert atmosphere; Green chemistry;	84%

: 589-55-9
heptan-4-ol

: 36461-40-2
3,5,-dibromo-4-heptanone

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide In water; acetonitrile at 65 - 70℃; Green chemistry;	83%

: 589-55-9
heptan-4-ol

: 1517-71-1, 2516-69-0, 63180-92-7, 31108-34-6
1-mesitylethanol

: 1-mesityl-3-propylhexan-1-one

Conditions

Conditions	Yield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate In toluene at 115℃; for 4h; Concentration; Inert atmosphere; Schlenk technique; Glovebox; chemoselective reaction;	83%
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate In toluene at 125℃; for 4h;	83%

: 589-55-9
heptan-4-ol

: 42330-10-9
3-bromoheptan-4-one

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide In water; acetonitrile at 65 - 70℃; for 6h; Green chemistry;	82%
With ammonium cerium (IV) nitrate; lithium bromide In water; acetonitrile at 65℃; for 4h;	92 %Chromat.

: 589-55-9
heptan-4-ol

: 98-59-9
p-toluenesulfonyl chloride

: 4883-86-7
4-heptyltoluene-p-sulphonate

Conditions

Conditions	Yield
With pyridine for 4h; <0 deg C;	81.5%
With pyridine

: 3377-71-7
N-benzylindole

: 589-55-9
heptan-4-ol

: C22H27N

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; methoxymethyl phenyl ketone In toluene at 100℃; for 12h; Inert atmosphere;	81%

: 34387-89-8
N-(tert-butoxycarbonylamino)phthalimide

: 589-55-9
heptan-4-ol

: (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-(1-propyl-butyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; Mitsunobu reaction;	80%

: 589-55-9
heptan-4-ol

: benzyl 4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-ylcarbamate

: (1-propyl-butyl)-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-carbamic acid benzyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; Mitsunobu reaction;	80%

: 589-55-9
heptan-4-ol

: 1212-53-9
methyl N-benzyloxycarbonylglycinate

: 1360464-22-7
4-heptyl N-benzyloxycarbonylglycinoate

Conditions

Conditions	Yield
With C12H6F18O13Zn4 In di-isopropyl ether for 18h; Reflux; Inert atmosphere;	79%

: 589-55-9
heptan-4-ol

: tert-butyl N-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)carbamate

: N-1'-(propyl)butyl-N-tert-butyloxycarbonylaminotetrachlorophthalimide

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; Mitsunobu reaction;	78%

: 589-55-9
heptan-4-ol

: 13577-85-0
N,N-dimethyl-2-naphthylcarboxamide

: C18H22O2

Conditions

Conditions	Yield
With N4,N4,N7,N7-tetramethyl-1,10-phenanthroline-4,7-diamine; [Mn(acac)(OEt)(EtOH)]4 at 170℃; for 45h; Inert atmosphere; Schlenk technique;	78%

: 589-55-9
heptan-4-ol

: 998-93-6
4-bromoheptane

Conditions

Conditions	Yield
With N-Bromosuccinimide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 70℃; for 2h;	77%
With phosphorus tribromide
With hydrogen bromide
With hydrogen bromide
With dibromotriphenoxyphosphorane

: 589-55-9
heptan-4-ol

: 15969-09-2
2,4-dibromo-6-nitrophenol

: 1,5-dibromo-2-(heptan-4-yloxy)-3-nitrobenzene

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 50℃; Inert atmosphere;	77%

: 589-55-9
heptan-4-ol

: 141037-05-0
(+/-)-but-3-en-2-yl 1-imidazolecarboxylate

: 141037-07-2
Carbonic acid 1-methyl-allyl ester 1-propyl-butyl ester

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In dichloromethane at 60℃; for 7h;	76%

: 589-55-9
heptan-4-ol

: 610-30-0
2,4-dinitrobenzoic acid

: 1073535-98-4
C14H18N2O6

Conditions

Conditions	Yield
With Vilsmeier reagent; triethylamine In tetrahydrofuran at 20℃; for 16h;	74%

: 589-55-9
heptan-4-ol

: 110-82-7
cyclohexane

: 201230-82-2
carbon monoxide

: C14H26O2

Conditions

Conditions	Yield
With 1,10-Phenanthroline; di-tert-butyl peroxide; copper dichloride at 120℃; under 15001.5 Torr; for 24h; Autoclave; Inert atmosphere;	73%

...Expand

: 589-55-9
heptan-4-ol

: 77416-01-4
3,5-Dichloro-4-heptanone

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide In water; acetonitrile at 65℃; for 10h;	72%

: 589-55-9
heptan-4-ol

: 2-chloro-N,N-bis(4-methoxybenzyl)imidazo[2,1-f][1,2,4]triazin-4-amine

: 2-(heptan-4-yloxy)-N,N-bis(4-methoxybenzyl)imidazo[2,1-f][1,2,4]triazin-4-amine

Conditions

Conditions	Yield
Stage #1: heptan-4-ol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 20h; Stage #2: 2-chloro-N,N-bis(4-methoxybenzyl)imidazo[2,1-f][1,2,4]triazin-4-amine In tetrahydrofuran; mineral oil at 70℃;	65.5%

4-Heptanol Specification

The 4-Heptanol, with the CAS registry number of 589-55-9, is also known as Dipropylcarbinol. Its EINECS registry number is 209-651-7. This chemical's molecular formula is C₇H₁₆O and molecular weight is 116.2. What's more, its IUPAC name is Heptan-4-ol.

Physical properties about 4-Heptanol are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.12; (6)ACD/BCF (pH 7.4): 32.12; (7)ACD/KOC (pH 5.5): 417.07; (8)ACD/KOC (pH 7.4): 417.07; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 35.97 cm³; (15)Molar Volume: 141.9 cm³; (16)Surface Tension: 27.3 dyne/cm; (17)Density: 0.818 g/cm³; (18)Flash Point: 61.8 °C; (19)Enthalpy of Vaporization: 46.34 kJ/mol; (20)Boiling Point: 161.3 °C at 760 mmHg; (21)Vapour Pressure: 0.792 mmHg at 25 °C.

Preparation: this chemical is prepared by Heptan-4-one. This reaction needs reagents NiCl₂ and NaBH₄. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 5 minutes with reaction temperature of 20 °C. The yield is about 92 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Chloro-heptane. This reaction needs reagents PPh₃ and Ethyl trichloroacetate. Meanwhile, it needs solvent Acetonitrile. The reaction time is 3 hours with reaction temperature of 10-15 °C. The yield is about 50 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(CCC)CCC
(2) InChI: InChI=1/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
(3) InChIKey: YVBCULSIZWMTFY-UHFFFAOYAT

Product Name

4-Heptanol

Synthetic route

4-Heptanol Specification

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