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[ CAS No. 937-75-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 937-75-7
Chemical Structure| 937-75-7
Chemical Structure| 937-75-7
Structure of 937-75-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 937-75-7 ]

CAS No. :937-75-7 MDL No. :MFCD18070924
Formula : C10H16O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ICBQBQPJLPHGKS-UHFFFAOYSA-N
M.W : 168.23 Pubchem ID :297894
Synonyms :

Calculated chemistry of [ 937-75-7 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.21
TPSA : 37.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.84
Log Po/w (XLOGP3) : 2.37
Log Po/w (WLOGP) : 2.29
Log Po/w (MLOGP) : 2.19
Log Po/w (SILICOS-IT) : 2.08
Consensus Log Po/w : 2.15

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -2.31
Solubility : 0.824 mg/ml ; 0.0049 mol/l
Class : Soluble
Log S (Ali) : -2.79
Solubility : 0.27 mg/ml ; 0.00161 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.71
Solubility : 3.3 mg/ml ; 0.0196 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.16

Safety of [ 937-75-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 937-75-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 937-75-7 ]

[ 937-75-7 ] Synthesis Path-Downstream   1~49

  • 1
  • [ 937-75-7 ]
  • [ 35683-23-9 ]
YieldReaction ConditionsOperation in experiment
With sodium azide; sulfuric acid
With tris-(2-chloro-ethyl)-amine
  • 3
  • [ 464-78-8 ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol
With sodium hydroxide; hydrazine In ethylene glycol at 210℃;
With potassium hydroxide; hydrazine hydrate In diethylene glycol at 205℃;
  • 4
  • [ 56695-01-3 ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
With acetic acid; zinc
  • 5
  • [ 99174-01-3 ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide; palladium Hydrogenation;
  • 6
  • bornane-10-nitrile [ No CAS ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid at 190℃; im Einschlussrohr;
  • 7
  • [ 908094-01-9 ]
  • [ 937-75-7 ]
  • [ 124-40-3 ]
  • [ 76890-61-4 ]
YieldReaction ConditionsOperation in experiment
(i) SOCl2, (ii) /BRN= 102415/, (iii) aq. HCl, (iv) /BRN= 605257/; Multistep reaction;
  • 8
  • [ 908094-01-9 ]
  • [ 937-75-7 ]
  • [ 74-89-5 ]
  • 1-(7,7-Dimethyl-bicyclo[2.2.1]hept-1-yl)-2-methylamino-ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
(i) SOCl2, (ii) /BRN= 102415/, (iii) aq. HCl, (iv) /BRN= 741851/; Multistep reaction;
  • 9
  • [ 64-18-6 ]
  • [ 937-75-7 ]
  • [ 62579-38-8 ]
YieldReaction ConditionsOperation in experiment
(i) aq. H2SO4, MeOH, (ii) LiAlH4, Et2O, (iii) SO3; Multistep reaction;
  • 10
  • [ 937-75-7 ]
  • [ 22463-27-0 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; dihydrogen peroxide for 8h;
  • 11
  • [ 937-75-7 ]
  • [ 933-27-7 ]
YieldReaction ConditionsOperation in experiment
With potassium <i>tert</i>-butylate; iodine In benzene
(i) AgNO3, aq. NH3, (ii) I2, cyclohexane; Multistep reaction;
  • 12
  • [ 937-75-7 ]
  • [ 35122-23-7 ]
YieldReaction ConditionsOperation in experiment
With lithium aluminium tetrahydride In diethyl ether
  • 13
  • [ 937-75-7 ]
  • [ 5271-65-8 ]
YieldReaction ConditionsOperation in experiment
With pyridine; thionyl chloride
With thionyl chloride
  • 14
  • [ 937-75-7 ]
  • [ 110051-86-0 ]
YieldReaction ConditionsOperation in experiment
With phosphorus pentoxide; <i>N</i>,<i>N</i>-dimethyl-aniline Heating;
  • 15
  • [ 937-75-7 ]
  • [ 62612-65-1 ]
YieldReaction ConditionsOperation in experiment
With ammonium peroxydisulfate; sulfuric acid; silver nitrate In acetonitrile
YieldReaction ConditionsOperation in experiment
Rk. mit Triphenylzinnbromid u. Benzylamin in CHCl3 (2 Std., 25grad) gibt Triphenylzinn-apocamphan-1-carboxylat;
Rk. mit Triphenylzinnhydrid in sd. Heptan (20 Std.) gibt Triphenylzinn-apocamphan-1-carboxylat;
Rk. mit Pb-Tetraacetat u. LiCl zu 1-Chlor-7,7-dimethyl-bicyclo<2.2.1>heptan;
Rk.m. N,N-Dimethyl-anilin, P2O5, Δ --> 7,7-Dimethyl-bicyclo<2.2.1>heptan-carbonsaeure-(1)-anhydrid;
40percent;

YieldReaction ConditionsOperation in experiment
1-Apocamphanmethanol (11), CrO3, Eisessig;
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; amalgamated zinc; toluene
YieldReaction ConditionsOperation in experiment
With sodium ethanolate at 170 - 180℃; im Rohr;
  • 20
  • [ 56695-01-3 ]
  • [ 64-19-7 ]
  • [ 937-75-7 ]
  • 21
  • [ 66275-41-0 ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: zinc dust; concentrated glacial acetic acid; glacial acetic acid 2: sulfuric acid / 190 °C / im Einschlussrohr
  • 22
  • [ 937-75-7 ]
  • [ 62612-64-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: (i) aq. H2SO4, MeOH, (ii) LiAlH4, Et2O, (iii) SO3 2: 4>2S2O8, aq. H2SO4, AgNO3 / acetonitrile
  • 23
  • [ 937-75-7 ]
  • [ 76890-56-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: (i) SOCl2, (ii) /BRN= 102415/, (iii) aq. HCl, (iv) /BRN= 741851/ 2: lithium aluminium tetrahydride
  • 24
  • [ 937-75-7 ]
  • 2-Dimethylamino-1-(7,7-dimethyl-bicyclo[2.2.1]hept-1-yl)-ethanol [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: (i) SOCl2, (ii) /BRN= 102415/, (iii) aq. HCl, (iv) /BRN= 605257/ 2: lithium aluminium tetrahydride
  • 25
  • [ 937-75-7 ]
  • [ 108124-81-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 2: AlCl3
Multi-step reaction with 2 steps 1: SOCl2, Py 2: AlCl3
  • 26
  • [ 937-75-7 ]
  • [ 21890-84-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 2: AlCl3
Multi-step reaction with 2 steps 1: SOCl2, Py 2: AlCl3 / CS2
  • 27
  • camphor-10-sulfonic acid [ No CAS ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: SOCl2, CaCO3 2: TsCl, Py / dioxane 3: KMnO4, aq. Na2CO3 / acetone 4: N2H4*H2O, KOH / bis-(2-hydroxy-ethyl) ether / 205 °C
  • 28
  • Campher-10-chlorsulfoxid [ No CAS ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: KMnO4, aq. Na2CO3 / acetone 2: N2H4*H2O, KOH / bis-(2-hydroxy-ethyl) ether / 205 °C
  • 29
  • [ 4552-50-5 ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: TsCl, Py / dioxane 2: KMnO4, aq. Na2CO3 / acetone 3: N2H4*H2O, KOH / bis-(2-hydroxy-ethyl) ether / 205 °C
  • 30
  • [ 937-75-7 ]
  • [ 13248-53-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: SOCl2 3: tetramethylurea, AgBF4 / chlorobenzene
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: SOCl2 3: AgBF4
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: nBuLi / tetrahydrofuran 3: AgBF4 / chlorobenzene
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: nBuLi / tetrahydrofuran 3: AgBF4

  • 31
  • [ 937-75-7 ]
  • [ 13248-52-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: H2SO4, aq. H2O2 / 8 h 2: nBuLi / tetrahydrofuran
  • 32
  • [ 937-75-7 ]
  • [ 24560-28-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: H2SO4, aq. H2O2 / 8 h 2: SOCl2
  • 33
  • [ 937-75-7 ]
  • [ 54371-27-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: SOCl2 3: AgBF4
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: nBuLi / tetrahydrofuran 3: AgBF4
Multi-step reaction with 2 steps 1: HN3 2: NOCl
  • 34
  • [ 937-75-7 ]
  • [ 54371-26-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: HN3 2: NOCl
  • 35
  • [ 937-75-7 ]
  • [ 54371-38-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: nBuLi / tetrahydrofuran 3: AgSbF6
Multi-step reaction with 2 steps 1: HN3 2: NOCl
  • 36
  • [ 937-75-7 ]
  • [ 54371-28-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: SOCl2 3: AgBF4
Multi-step reaction with 3 steps 1: H2SO4, aq. H2O2 / 8 h 2: nBuLi / tetrahydrofuran 3: AgBF4
Multi-step reaction with 2 steps 1: HN3 2: NOCl
  • 37
  • [ 937-75-7 ]
  • [ 35122-25-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2, Py
  • 38
  • [ 937-75-7 ]
  • [ 97554-51-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2, Py 2: AlCl3 3: LiAlH4 / diethyl ether
  • 39
  • [ 937-75-7 ]
  • [ 130671-75-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2, Py 2: diethyl ether 3: LiAlH4 / diethyl ether
  • 40
  • [ 937-75-7 ]
  • [ 109935-99-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2, Py 2: diethyl ether 3: LiAlH4 / diethyl ether
  • 41
  • [ 937-75-7 ]
  • [ 107414-31-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2, Py 2: diethyl ether
  • 42
  • [ 937-75-7 ]
  • [ 132180-61-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2, Py 2: AlCl3 / CS2 3: LiAlH4 / diethyl ether
  • 43
  • [ 937-75-7 ]
  • [ 101286-19-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2, Py 2: diethyl ether
  • 44
  • [ 937-75-7 ]
  • [ 110052-43-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2, Py 3: Na / toluene
  • 45
  • [ 3731-51-9 ]
  • [ 937-75-7 ]
  • C16H22N2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.11 g Stage #1: 2-(Aminomethyl)pyridine; bornan-10-oic acid With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In dichloromethane for 0.0833333h; Stage #2: With N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 18h;
  • 46
  • [ 35122-26-0 ]
  • [ 937-75-7 ]
YieldReaction ConditionsOperation in experiment
With lithium hydroxide In tetrahydrofuran; methanol; water for 24h;
  • 47
  • [ 937-75-7 ]
  • C18H24N2O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / dichloromethane / 0.08 h 1.2: 18 h / 25 °C 2.1: palladium diacetate; [bis(acetoxy)iodo]benzene / toluene / 18 h / 80 °C / Inert atmosphere
  • 48
  • [ 937-75-7 ]
  • C16H18(2)H4N2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / dichloromethane / 0.08 h 1.2: 18 h / 25 °C 2.1: palladium diacetate; tetradeuterioacetic acid / toluene / 18 h / 130 °C / Inert atmosphere
  • 49
  • [ 937-75-7 ]
  • C16H22N2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / dichloromethane / 0.08 h 1.2: 18 h / 25 °C 2.1: palladium diacetate; [bis(acetoxy)iodo]benzene / toluene / 18 h / 80 °C / Inert atmosphere 3.1: potassium carbonate / formic acid / 18 h / 25 °C
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