Product Name

  • Name

    6-Heptyn-1-ol

  • EINECS
  • CAS No. 63478-76-2
  • Article Data69
  • CAS DataBase
  • Density 0.894 g/cm3
  • Solubility Soluble in chloroform, dichloromethane and methanol. Slightly soluble in water.
  • Melting Point -20.62°C (estimate)
  • Formula C7H12O
  • Boiling Point 174.3 °C at 760 mmHg
  • Molecular Weight 112.172
  • Flash Point 92.8 °C
  • Transport Information
  • Appearance
  • Safety 16
  • Risk Codes 10
  • Molecular Structure Molecular Structure of 63478-76-2 (6-Heptyn-1-ol)
  • Hazard Symbols
  • Synonyms 7-Hydroxyhept-1-yne;Hept-6-yn-1-ol;SBB069606;
  • PSA 20.23000
  • LogP 1.17230

Synthetic route

3-heptyn-1-ol
14916-79-1

3-heptyn-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With sodium hydride; Trimethylenediamine at 20℃; for 0.666667h; Isomerization;100%
With potassium tert-butylate; sodium hydride; Trimethylenediamine In mineral oil at 20 - 70℃; for 3h;99%
With potassium tert-butylate; lithium; Trimethylenediamine at 20℃; for 2h;97%
hept-6-ynoic acid
30964-00-2

hept-6-ynoic acid

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With lithium aluminium tetrahydride100%
Stage #1: hept-6-ynoic acid With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃;
Stage #2: With hydrogenchloride In diethyl ether for 0.5h;
89%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere;82%
hep-2-yn-1-ol
1002-36-4

hep-2-yn-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With potassium hydride; 1,2-diaminopropan In tetrahydrofuran; mineral oil at 20℃; for 24h; Inert atmosphere;99%
With potassium salt of 1,3-diaminopropane In tetrahydrofuran at 0℃; for 0.5h;97%
With potassium tert-butylate; lithium; Trimethylenediamine at 20℃; for 3h; Inert atmosphere;90%
tetrahydro-2-(6-heptynyloxy)-2H-pyran
37011-86-2

tetrahydro-2-(6-heptynyloxy)-2H-pyran

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With acid98%
7-(trimethylsilyl)hept-6-yn-1-ol

7-(trimethylsilyl)hept-6-yn-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With water; sodium hydroxide In methanol95%
methyl hept-6-ynoate
56909-02-5

methyl hept-6-ynoate

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 1.5h; Heating;91%
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; Yield given;
With methanol; sodium tetrahydroborate In tetrahydrofuran for 3.25h; Reflux;2.15 g
7-(trimethylsilyl)hept-6-yn-1-yl acetate
1360871-35-7

7-(trimethylsilyl)hept-6-yn-1-yl acetate

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With water; potassium carbonate In methanol at 20℃; for 5h;82%
hept-5-yn-1-ol
58944-42-6

hept-5-yn-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With sodium amide; Trimethylenediamine In ammonia79%
7,7-dibromo-6-hepten-1-ol

7,7-dibromo-6-hepten-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.333333h; Dehydrobromination;70%
3-oxocyclohept-1-en-1-yl trifluoromethanesulfonate

3-oxocyclohept-1-en-1-yl trifluoromethanesulfonate

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With lithium triethylborohydride In tetrahydrofuran at -78 - 20℃;63%
7-chlorohept-1-yne
18804-36-9

7-chlorohept-1-yne

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Ueberfuehrung ueber das Jodid in das Acetat und folgende Hydrolyse;
(i) DMF, KOAc, (ii) NaOH, aq. EtOH; Multistep reaction;
6-bromohept-6-en-1-ol
98434-66-3

6-bromohept-6-en-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With ammonia; sodium amide
5-bromopentan-1-ol
34626-51-2

5-bromopentan-1-ol

lithium acetylide
70277-75-7

lithium acetylide

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With 3,4-dihydro-2H-pyran Multistep reaction;
1-(triisopropylsiloxy)hept-6-yne

1-(triisopropylsiloxy)hept-6-yne

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With hydrogenchloride In methanol at 20℃;
2-nonyn-1-ol
5921-73-3

2-nonyn-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
With potassium tert-butylate; lithium; Trimethylenediamine
hex-1-yne
693-02-7

hex-1-yne

[Co2(CO)8]

[Co2(CO)8]

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 87 percent / n-BuLi / tetrahydrofuran / -78 - 20 °C
2: 79 percent / KH; 1,3-diaminopropane / 2 h / cooling
View Scheme
Multi-step reaction with 2 steps
1: 87 percent / n-BuLi / tetrahydrofuran; hexane / Heating
2: 70 percent / KH; H2N(CH2)2NH2 / 20 °C
View Scheme
hex-1-yne
693-02-7

hex-1-yne

iodo- or bromobenzene

iodo- or bromobenzene

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: n-BuLi / tetrahydrofuran / 1 h / -78 °C
1.2: 99 percent / tetrahydrofuran / 18 h / -78 - 20 °C
2.1: 67 percent / potassium hydride / various solvent(s) / 1.5 h / 10 - 15 °C
View Scheme
non-2-ynyl tetrahydropyran-2-yl ether
83583-29-3

non-2-ynyl tetrahydropyran-2-yl ether

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: PPTS / ethanol / 3 h / 25 °C
2: H2N(CH2)3NH2; Li; t-BuOK
View Scheme
1,6-hexanediol
629-11-8

1,6-hexanediol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: NaH / tetrahydrofuran / 20 °C
2: (COCl)2; DMSO; Et3N / CH2Cl2 / -78 °C
3: PPh3 / CH2Cl2 / 20 °C
4: n-BuLi / tetrahydrofuran / 0 °C
5: aq. HCl / methanol / 20 °C
View Scheme
6-((triisopropylsilyl)oxy)hexanal
245124-09-8

6-((triisopropylsilyl)oxy)hexanal

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: PPh3 / CH2Cl2 / 20 °C
2: n-BuLi / tetrahydrofuran / 0 °C
3: aq. HCl / methanol / 20 °C
View Scheme
6-{[tris(propan-2-yl)silyl]oxy}hexan-1-ol
146952-70-7

6-{[tris(propan-2-yl)silyl]oxy}hexan-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: (COCl)2; DMSO; Et3N / CH2Cl2 / -78 °C
2: PPh3 / CH2Cl2 / 20 °C
3: n-BuLi / tetrahydrofuran / 0 °C
4: aq. HCl / methanol / 20 °C
View Scheme
7,7-dibromo-1-(triisopropylsiloxy)hept-6-ene

7,7-dibromo-1-(triisopropylsiloxy)hept-6-ene

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: n-BuLi / tetrahydrofuran / 0 °C
2: aq. HCl / methanol / 20 °C
View Scheme
5-bromopentanoic acid
2067-33-6

5-bromopentanoic acid

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: dimethylsulfoxide / 2 h
2: SOCl2 / 3 h / Heating
3: 91 percent / LiAlH4 / tetrahydrofuran / 1.5 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: NH3 / tetrahydrofuran / 15 h
2: diethyl ether
3: LiAlH4 / diethyl ether / 2 h / 0 °C
View Scheme
TETRAHYDROPYRANE
142-68-7

TETRAHYDROPYRANE

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ZnBr2
2: K2CO3 / methanol
3: 1.) dihydropyran, 2.) deprotection
View Scheme
5-bromo-1-pentanyl acetate
15848-22-3

5-bromo-1-pentanyl acetate

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: K2CO3 / methanol
2: 1.) dihydropyran, 2.) deprotection
View Scheme
2-(chloromethyl)tetrahydropyran
18420-41-2, 130233-13-5, 130233-14-6

2-(chloromethyl)tetrahydropyran

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 83 percent / NaNH2 / liquid ammonia
2: 54 percent / LiNH2 / liquid ammonia
3: 79 percent / NaNH2, H2N-(CH2)3-NH2 / liquid ammonia
View Scheme
Tetrahydropyran-2-methanol
100-72-1

Tetrahydropyran-2-methanol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: SOCl2, pyridine
2: 83 percent / NaNH2 / liquid ammonia
3: 54 percent / LiNH2 / liquid ammonia
4: 79 percent / NaNH2, H2N-(CH2)3-NH2 / liquid ammonia
View Scheme
5-hexyl-1-ol
928-90-5

5-hexyl-1-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 54 percent / LiNH2 / liquid ammonia
2: 79 percent / NaNH2, H2N-(CH2)3-NH2 / liquid ammonia
View Scheme
hex-1-yne
693-02-7

hex-1-yne

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 95 percent / n-BuLi / tetrahydrofuran
2: 46 percent / KH, 1,3-Diaminopropane
View Scheme
Multi-step reaction with 2 steps
1: n-butyllithium / diethyl ether / 0 °C
2: sodium hydride; ethylenediamine / 60 °C
View Scheme
3,4-dihydro-2H-pyran
110-87-2

3,4-dihydro-2H-pyran

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

tetrahydro-2-(6-heptynyloxy)-2H-pyran
37011-86-2

tetrahydro-2-(6-heptynyloxy)-2H-pyran

Conditions
ConditionsYield
With toluene-4-sulfonic acid In dichloromethane at 20℃;100%
With toluene-4-sulfonic acid98%
camphor-10-sulfonic acid In dichloromethane at 0 - 20℃;97%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

tert-butyl(hept-6-yn-1-yloxy)dimethylsilane
119837-81-9

tert-butyl(hept-6-yn-1-yloxy)dimethylsilane

Conditions
ConditionsYield
With 1H-imidazole In dichloromethane at 20℃; for 24h;100%
With 1H-imidazole In dichloromethane at 20℃; for 24h;100%
With pyridine; 1H-imidazole at 20℃; for 0.5h;99%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

2-bromo-4'-methoxy-benzophenone
59142-63-1

2-bromo-4'-methoxy-benzophenone

(2-(7-hydroxyhept-1-yn-1-yl)phenyl)(4-methoxyphenyl)methanone

(2-(7-hydroxyhept-1-yn-1-yl)phenyl)(4-methoxyphenyl)methanone

Conditions
ConditionsYield
Stage #1: 2-bromo-4'-methoxy-benzophenone With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine at 20℃; for 0.5h; Sealed tube; Inert atmosphere;
Stage #2: 1-hydroxy-6-heptyne at 85℃; for 48h; Sealed tube; Inert atmosphere;
99%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

methyl 2-(7-hydroxyhept-1-ynyl)benzoate

methyl 2-(7-hydroxyhept-1-ynyl)benzoate

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 15h; Sonogashira Cross-Coupling; Inert atmosphere;99%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

hept-5-yn-1-ol
58944-42-6

hept-5-yn-1-ol

Conditions
ConditionsYield
With potassium hydroxide98%
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 3h;88%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

hept-6-ynal
67100-10-1

hept-6-ynal

Conditions
ConditionsYield
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -60 - 0℃; Swern oxidation;98%
With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide at 20℃; for 12h; chemoselective reaction;89%
With sulfur trioxide pyridine complex; triethylamine In dichloromethane; dimethyl sulfoxide at 20℃; for 1h; Schlenk technique;87%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

tert-butylchlorodiphenylsilane
58479-61-1

tert-butylchlorodiphenylsilane

tert-butyl(hept-6-yn-1-yloxy)diphenylsilane
106027-21-8

tert-butyl(hept-6-yn-1-yloxy)diphenylsilane

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 25℃;98%
With 1H-imidazole In dichloromethane at 0 - 20℃;94%
With 1H-imidazole In dichloromethane at 0 - 20℃; Inert atmosphere;89%
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

7-(trimethylsilyl)hept-6-yn-1-ol

7-(trimethylsilyl)hept-6-yn-1-ol

Conditions
ConditionsYield
Stage #1: 1-hydroxy-6-heptyne With dmap; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane for 2h; Inert atmosphere;
97%
Stage #1: 1-hydroxy-6-heptyne With dmap; n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane for 2h; Inert atmosphere;
92%
Stage #1: 1-hydroxy-6-heptyne With dmap; n-butyllithium In tetrahydrofuran; hexane at -78℃;
Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane at -78 - 20℃;
80%
Stage #1: 1-hydroxy-6-heptyne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane at -78 - 20℃; for 15h; Inert atmosphere;
70%
Stage #1: 1-hydroxy-6-heptyne With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; for 0.333333h;
Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane at -78 - 20℃;
61%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

1-Bromo-3-iodobenzene
591-18-4

1-Bromo-3-iodobenzene

7-(3-bromophenyl)hept-6-yn-1-ol

7-(3-bromophenyl)hept-6-yn-1-ol

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diethylamine for 7h; Sonogashira Cross-Coupling; Inert atmosphere;97%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

7-iodo-6-heptyn-1-ol
164470-73-9

7-iodo-6-heptyn-1-ol

Conditions
ConditionsYield
With potassium hydroxide; iodine In methanol; water at 20℃; for 4h;94%
With potassium hydroxide; iodine In methanol at 20℃; for 4h;94%
Stage #1: 1-hydroxy-6-heptyne With potassium hydroxide In methanol; water at 0℃; for 0.166667h;
Stage #2: With iodine In methanol; water at 0 - 20℃;
77%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

C10H12ClIO4

C10H12ClIO4

C17H23ClO5

C17H23ClO5

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 3h; Sonogashira Cross-Coupling; Inert atmosphere;93%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

C7H13N3O

C7H13N3O

Conditions
ConditionsYield
With silver(I) azide; trimethylsilylazide; water In dimethyl sulfoxide at 80℃; Reagent/catalyst;93%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

benzyl bromide
100-39-0

benzyl bromide

((hept-6-yn-1-yloxy)methyl)benzene
565473-04-3

((hept-6-yn-1-yloxy)methyl)benzene

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; potassium hydride In tetrahydrofuran; diethyl ether for 3h; cooling;92%
With sodium hydride In tetrahydrofuran at 0℃;78%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

p-methoxybenzyl chloride
824-94-2

p-methoxybenzyl chloride

1-((hept-6-yn-1-yloxy)methyl)-4-methoxybenzene
1226762-13-5

1-((hept-6-yn-1-yloxy)methyl)-4-methoxybenzene

Conditions
ConditionsYield
Stage #1: 1-hydroxy-6-heptyne With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Inert atmosphere;
Stage #2: p-methoxybenzyl chloride With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Inert atmosphere;
92%
Stage #1: 1-hydroxy-6-heptyne With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Inert atmosphere;
Stage #2: p-methoxybenzyl chloride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 18h; Inert atmosphere;
87%
4-cyanopyridine N-oxide
14906-59-3

4-cyanopyridine N-oxide

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

7-hydroxy-2-methyleneheptanenitrile

7-hydroxy-2-methyleneheptanenitrile

Conditions
ConditionsYield
With potassium fluoride; water; trifluoroacetic acid; nickel dichloride; zinc In N,N-dimethyl acetamide at 30℃; for 24h;92%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

hept-6-yn-1-yl 4-methylbenzenesulfonate
87462-63-3

hept-6-yn-1-yl 4-methylbenzenesulfonate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; Inert atmosphere;91%
With pyridine87%
With dmap; triethylamine Inert atmosphere;84%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

benzoyl chloride
98-88-4

benzoyl chloride

hept-6-yn-1-yl benzoate
159614-47-8

hept-6-yn-1-yl benzoate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 1h;91%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

7-(4-trifluoromethyl-phenyl)-hept-6-yn-1-ol

7-(4-trifluoromethyl-phenyl)-hept-6-yn-1-ol

Conditions
ConditionsYield
With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium(0) at 20℃; Sonogashira reaction;91%
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

7-bromo-hept-1-yne
81216-14-0

7-bromo-hept-1-yne

Conditions
ConditionsYield
With carbon tetrabromide; triphenylphosphine In dichloromethane at 20℃; for 1h; Cooling with ice;91%
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0℃; for 1.5h; Inert atmosphere;86%
With carbon tetrabromide; triphenylphosphine In dichloromethane at 20℃; for 1h; Inert atmosphere;83%
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃;54%
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃; Appel Halogenation;
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

acetic anhydride
108-24-7

acetic anhydride

hept-6-yn-1-yl acetate
93184-64-6

hept-6-yn-1-yl acetate

Conditions
ConditionsYield
With pyridine90%
With dmap; triethylamine In dichloromethane at 20℃; for 5h;86%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;3.44 g
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

1-iodo-octa-1,3-diyne
333754-02-2

1-iodo-octa-1,3-diyne

pentadeca-6,8,10-triyn-1-ol
333753-97-2

pentadeca-6,8,10-triyn-1-ol

Conditions
ConditionsYield
With pyrrolidine; copper(l) iodide90%
iodobenzene
591-50-4

iodobenzene

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

7-phenyl-hept-6-yn-1-ol
335353-53-2

7-phenyl-hept-6-yn-1-ol

Conditions
ConditionsYield
With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; triethylamine In tetrahydrofuran at 20℃; Sonogashira Cross-Coupling; Inert atmosphere;90%
With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium(0) at 20℃; Sonogashira reaction;87%
With bis-triphenylphosphine-palladium(II) chloride; diethylamine; copper(l) chloride at 0 - 20℃; Sonogashira coupling; Inert atmosphere;39%
With piperidine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In toluene at 20℃; for 2h;
1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

1-bromo-octane
111-83-1

1-bromo-octane

pentadec-6-yn-1-ol
105090-57-1

pentadec-6-yn-1-ol

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere;90%
4-bromo-2-methylbut-3-yn-2-ol
2063-19-6

4-bromo-2-methylbut-3-yn-2-ol

1-hydroxy-6-heptyne
63478-76-2

1-hydroxy-6-heptyne

10-methylundeca-6,8-diyne-1,10-diol
1308271-41-1

10-methylundeca-6,8-diyne-1,10-diol

Conditions
ConditionsYield
Stage #1: 1-hydroxy-6-heptyne With propylamine; hydroxylamine hydrochloride; copper(l) chloride In water at 0℃; for 0.166667h; Cadiot-Chodkiewicz procedure;
Stage #2: 4-bromo-2-methylbut-3-yn-2-ol In tetrahydrofuran at 0℃; Cadiot-Chodkiewicz procedure;
90%

6-Heptyn-1-ol Specification

The 6-Heptyn-1-ol with CAS registry number of 63478-76-2 is also known as 7-Hydroxyhept-1-yne. The IUPAC name is Hept-6-yn-1-ol. In addition, the formula is C7H12O and the molecular weight is 112.17. As this chemical is flammable, keep away from sources of ignition when using it.

Physical properties about 6-Heptyn-1-ol are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.16; (6)ACD/BCF (pH 7.4): 4.16; (7)ACD/KOC (pH 5.5): 96.59; (8)ACD/KOC (pH 7.4): 96.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 33.84 cm3; (14)Molar Volume: 125.3 cm3; (15)Surface Tension: 35.6 dyne/cm; (16)Density: 0.894 g/cm3; (17)Flash Point: 92.8 °C; (18)Enthalpy of Vaporization: 47.81 kJ/mol; (19)Boiling Point: 174.3 °C at 760 mmHg; (20)Vapour Pressure: 0.378 mmHg at 25 °C.

Preparation of 6-Heptyn-1-ol: it is prepared by reaction of 2-hept-6-ynyloxy-tetrahydro-pyran. The reaction needs reagent acid and the yield is about 98%.

6-Heptyn-1-ol is prepared by reaction of 2-hept-6-ynyloxy-tetrahydro-pyran.

Uses of 6-Heptyn-1-ol: it is used to produce Preparation of 6-Heptyn-1-ol by reaction with 3,4-dihydro-2H-pyran. The reaction occurs with reagent PPTS and solvent CH2Cl2 at the temperature of 20 °C for 12 hours. The yield is about 95%.

6-Heptyn-1-ol is used to produce Preparation of 6-Heptyn-1-ol by reaction with 3,4-dihydro-2H-pyran.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C#CCCCCCO
2. InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h1,8H,3-7H2
3. InChIKey: BVRCLEXKQNWTDK-UHFFFAOYSA-N

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