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102-97-6

Basic Information
CAS No.: 102-97-6
Name: Benzenemethanamine,N-(1-methylethyl)-
Molecular Structure:
Molecular Structure of 102-97-6 (Benzenemethanamine,N-(1-methylethyl)-)
Formula: C10H15N
Molecular Weight: 149.23
Synonyms: Benzylamine,N-isopropyl- (6CI,7CI,8CI);(1-Methylethyl)(phenylmethyl)amine;Benzylisopropylamine;Isopropylbenzylamine;N-(1-Methylethyl)benzenemethanamine;N-Benzyl-N-isopropylamine;N-Benzylpropan-2-amine;N-Isopropyl-N-benzylamine;
EINECS: 203-067-6
Density: 0.907 g/cm3
Melting Point: 143°C (estimate)
Boiling Point: 199.999 °C at 760 mmHg
Flash Point: 87.778 °C
Solubility:
Appearance: Clear, very slightly yellow to yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: UN 2735
PSA: 12.03000
LogP: 2.57550
Synthetic route
67-63-0

isopropyl alcohol

100-46-9

benzylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With C13H20N2O*Ir(1+); hydrogen at 80℃; under 3000.3 Torr; for 23h; Reagent/catalyst; Autoclave; Green chemistry;100%
With nickel at 20℃; for 26h;70%
Pt on TiO2 for 10h; Ambient temperature; Irradiation;36.32%

1-benzyl-2-(chloromethyl)aziridine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether for 6h; Reflux;98%
108-18-9

diisopropylamine

100-46-9

benzylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere;97%
With [(C5Me4)(CH2)3(C5Me4)(IrI2)2]m In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Schlenk technique; Reflux;96%
5440-69-7

N-isopropylbenzamide

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
Stage #1: N-isopropylbenzamide With 2-fluoropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.333333h;
Stage #2: With 1,1,3,3-Tetramethyldisiloxane In dichloromethane at 0 - 20℃; for 3.16667h;
Stage #3: With tris(pentafluorophenyl)borate In dichloromethane at 0 - 20℃;
94%
With lithium aluminium tetrahydride In diethyl ether for 5h; Heating;
With diphenylsilane; triphenylphosphine; chloro(1,5-cyclooctadiene)rhodium(I) dimer In tetrahydrofuran at 20℃; for 48h;80 % Spectr.
27845-51-8

(E)-N-benzylidenepropan-2-amine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With titanocene dichloride; butyl magnesium bromide In diethyl ether at 25℃; for 15h; Mechanism; var. aldimine and cyclic ketimine substr.; var. quant. of catalyst;94%
With titanocene dichloride; butyl magnesium bromide In diethyl ether at 25℃; for 15h;94%
6852-56-8

N-benzylideneisopropylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With sodium tetrahydroborate; (-) In ethanol at 20℃; for 72h;92%
With ammonia borane at 20℃; for 12h;75%
With sodium tetrahydroborate In methanol at 20℃; for 1h;
100-52-7

benzaldehyde

75-31-0

isopropylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With bis(benzonitrile)palladium(II) dichloride; hydrogen; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt at 100℃; under 10343 Torr; for 24h;90%
With sodium tetrahydroborate In 2,2,2-trifluoroethanol at 35 - 40℃; for 0.0333333h;90%
Stage #1: benzaldehyde; isopropylamine In tetrahydrofuran; methanol for 6h; Molecular sieve;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran; methanol at 0 - 20℃; for 2h;
85%
67-64-1

acetone

100-46-9

benzylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With iridium bromide; sulfuric acid; zinc In 1,4-dioxane; water at 30℃; for 72h;88%
With sodium hydrogen telluride In ethanol for 20h; Ambient temperature;80%
With sodium tris(acetoxy)borohydride In dichloromethane at 30℃;70%
34636-09-4

benzyldiisopropylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With iodine; sodium carbonate In chloroform at 60℃; for 24h;86%
100-44-7

benzyl chloride

75-31-0

isopropylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With copper(l) chloride In ethanol at 40℃; Reagent/catalyst; Solvent; Temperature;85.3%
With sodium carbonate In glycerol
25662-24-2

N-benzyl-2-(bromomethyl)aziridine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether Reflux;82%
100-52-7

benzaldehyde

15576-36-0

Isopropylamine hydroperchlorate

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With tri-n-butyl-tin hydride In N,N-dimethyl-formamide at 20℃; for 4h; Reductive amination;73%
34636-09-4

benzyldiisopropylamine

766-08-5

methylphenylsilane

A

102-97-6

Benzyl-isopropyl-amin

B

methyl(phenyl)(1-propyl)silane

Conditions
ConditionsYield
With tris(pentafluorophenyl)borate In chlorobenzene at 130℃; for 36h; Inert atmosphere; Glovebox;A 70%
B 36%
10229-64-8, 143957-81-7, 300802-10-2

(Z)‑N‑isopropyl‑1‑phenylmethanimine oxide

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With 4,4'-di-tert-butylbiphenyl; lithium; nickel dichloride In tetrahydrofuran at 20℃; for 6h;67%
6873-90-1

N-benzyl-4-methylbenzenesulfinamide

67-63-0

isopropyl alcohol

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With nickel at 20℃; for 6h;65%
67-64-1

acetone

932-90-1

Benzaldoxime

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With hydrogen; magnesium oxide; copper at 220℃; under 11250.9 Torr;61%
108-18-9

diisopropylamine

103-49-1

dibenzylamine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere;60%
27845-51-8

(E)-N-benzylidenepropan-2-amine

A

55079-98-6

N,N'-diisopropyl-1,2-diphenyl-1,2-ethanediamine

B

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With sodium hydroxide; zinc In water for 5.2h; Ambient temperature;A 20%
B 53%
With samarium diiodide In tetrahydrofuran at 180℃; under 8250.66 - 10500.8 Torr; for 0.0833333h; Product distribution; Further Variations:; Reagents; time; microwave irradiation;
100-39-0

benzyl bromide

75-31-0

isopropylamine

A

102-97-6

Benzyl-isopropyl-amin

B

55578-14-8

N-isopropyl-N,N-dibenzylamine

Conditions
ConditionsYield
With sodium hydroxideA 51%
B 27%
68723-26-2

N-isopropyl-N-ethylbenzylamine

A

102-97-6

Benzyl-isopropyl-amin

B

14321-27-8

N-ethylbenzylamine

Conditions
ConditionsYield
With iodine; sodium carbonate In chloroform at 60℃; for 24h;A 34%
B 41%
75-31-0

isopropylamine

100-51-6

benzyl alcohol

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
Pt on TiO2 for 20h; Ambient temperature; Irradiation;4.9%
100-39-0

benzyl bromide

75-31-0

isopropylamine

102-97-6

Benzyl-isopropyl-amin

72846-70-9, 72846-71-0, 6668-39-9

isopropyl phenyl ketoxime

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
(i) PCl5, benzene, Et2O, (ii) LiAlH4; Multistep reaction;

Diisopropoxycarbenium-tetrafluoroborat

100-47-0

benzonitrile

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
(i) CH2Cl2, (ii) EtOH, (iii) NaBH4; Multistep reaction;

C28H29NP(1+)*I(1-)

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With water; hydroxide
76757-59-0

Isopropyl-[2,2,2-trichloro-1-phenyl-eth-(E)-ylidene]-amine

A

4164-23-2

1-isopropyl-2-phenyl-aziridine

B

19302-16-0

N-isopropyl-(+/-)-α-methylbenzylamine

C

52007-97-3

N-isopropyl-N-(2-phenylethyl)amine

D

102-97-6

Benzyl-isopropyl-amin

E

68058-02-6

N-(2-hydroxy-1-phenylethyl)-N-isopropylamine

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether for 7h; Product distribution; Heating; various molar ratios, solvents, time. Other N-alkyl- and N-aryltrichloroacetophenone imines;A 5 % Chromat.
B 4 % Chromat.
C 64 % Chromat.
D 15 % Chromat.
E 9 % Chromat.
27845-51-8

(E)-N-benzylidenepropan-2-amine

A

102-97-6

Benzyl-isopropyl-amin

B

55079-98-6

(R,S)-N,N'-di(1-methylethyl)-1,2-diphenyl-1,2-ethylenediamine

(R*,R*)-N,N'-di(1-methylethyl)-1,2-diphenyl-1,2-ethylenediamine

Conditions
ConditionsYield
With ammonium hydroxide; chloro-trimethyl-silane; water; ammonium chloride; ethylene dibromide; zinc 1.) CH3CN, 35 deg C, 1 h, 2.) CH3CN, 0 deg C; Yield given. Multistep reaction. Yields of byproduct given;
67-63-0

isopropyl alcohol

100-46-9

benzylamine

A

34636-09-4

benzyldiisopropylamine

B

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With γ-Al2O3 In gaseous matrix at 230℃; Yield given; Yields of byproduct given;
benzaldehyde isopropylimine

benzaldehyde isopropylimine

102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With ethanol; nickel Hydrogenation;
103-82-2

phenylacetic acid

102-97-6

Benzyl-isopropyl-amin

N-benzyl-N-isopropyl-2-phenylacetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 14h; Inert atmosphere;100%
2402-78-0

2,6-dichloropyridine

102-97-6

Benzyl-isopropyl-amin

464170-02-3

2-(N-benzylisopropylamino)-6-chloropyridine

Conditions
ConditionsYield
Stage #1: Benzyl-isopropyl-amin With n-butyllithium In hexane; toluene at -64 - 0℃;
Stage #2: 2,6-dichloropyridine In hexane; toluene at 4 - 20℃;
99%
With n-butyllithium
102-97-6

Benzyl-isopropyl-amin

298-12-4

Glyoxilic acid

98-80-6

phenylboronic acid

N-benzyl-N-isopropyl-α-phenylglycine

Conditions
ConditionsYield
In dichloromethane for 48h; Petasis reaction;99%
75-15-0

carbon disulfide

nickel(II) chloride hexahydrate

102-97-6

Benzyl-isopropyl-amin

82421-76-9

(benzylisopropyldithiocarbamate)2 nickel(II)

Conditions
ConditionsYield
In ethanol; water mixing amine and CS2 in EtOH, standing for 15 min, addn. of warm H2O soln. of Ni-salt, standing for 1 h; collection (filtration), washing (warm H2O), drying (IR-lamp); elem. anal.;99%
102-97-6

Benzyl-isopropyl-amin

A

10229-64-8, 143957-81-7, 300802-10-2

(Z)‑N‑isopropyl‑1‑phenylmethanimine oxide

B

100-52-7

benzaldehyde

Conditions
ConditionsYield
With dihydrogen peroxide; PCWP In chloroform at 40℃; for 2h;A 98%
B 2%
102-97-6

Benzyl-isopropyl-amin

598-21-0

2-Bromoacetyl bromide

100140-99-6

N-isopropyl-N-(phenylmethyl)-2-bromoacetamide

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 1h;98%
With triethylamine In dichloromethane Ambient temperature;
With triethylamine In chloroform at 0 - 20℃; for 24h;
With triethylamine In dichloromethane at 0 - 20℃;52.2 g
1694-31-1

tert-butyl acetoacetate

102-97-6

Benzyl-isopropyl-amin

N-(1-methylethyl)-3-oxo-N-(phenylmethyl)butanamide

Conditions
ConditionsYield
at 100 - 115℃; under 100 Torr;97%
36291-49-3

3-bromocycloheptene

102-97-6

Benzyl-isopropyl-amin

1393659-10-3

(RS)-3-(N-Benzyl-N-isopropylamino)cyclohept-1-ene

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran at 50℃; for 16h; Kinetics;96%
75-15-0

carbon disulfide

773-82-0

Pentafluorobenzonitrile

102-97-6

Benzyl-isopropyl-amin

4-cyano-2,3,5,6-tetrafluorophenyl-N-benzyl-N-isopropylcarbamodithioate

Conditions
ConditionsYield
Stage #1: carbon disulfide; Benzyl-isopropyl-amin With potassium phosphate In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry;
Stage #2: Pentafluorobenzonitrile In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; regioselective reaction;
96%
102-97-6

Benzyl-isopropyl-amin

10229-64-8, 143957-81-7, 300802-10-2

N-benzylideneisopropylamine N-oxide

Conditions
ConditionsYield
With dihydrogen peroxide; trichloroacetonitrile In methanol; water at 0 - 25℃; for 8h;95%
With sodium tungstate; dihydrogen peroxide In methanol; water at 20℃;48%
With α-D-glucose 6-phosphate; oxygen; NADP; cyclohexanone monooxygenase at 25℃; for 24h; pH=8.6; Enzymatic reaction;
With air; cyclohexanone monooxygenase from Escherichia coli; NADPH In water at 25℃; pH=8.6; Enzyme kinetics;
102-97-6

Benzyl-isopropyl-amin

20689-97-8

N-benzyl-N-isopropylnitrous amide

Conditions
ConditionsYield
With N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide; water; silica gel; sodium nitrite In dichloromethane at 20℃; for 0.05h; Reagent/catalyst;95%
With sodium nitrite In dichloromethane at 20℃; for 0.0833333h;89%
With acetic acid; sodium nitrite In water at 0 - 20℃; for 1h; Inert atmosphere;
527-72-0

2-thiophenylcarboxylic acid

102-97-6

Benzyl-isopropyl-amin

N-benzyl-N-isopropylthiophene-2-carboxamide

Conditions
ConditionsYield
Stage #1: 2-thiophenylcarboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate at 20℃; for 0.166667h;
Stage #2: Benzyl-isopropyl-amin at 20℃; for 1h;
95%
96-09-3

styrene oxide

102-97-6

Benzyl-isopropyl-amin

87040-39-9

(+/-)-benzylisopropyl(α-hydroxyphenethyl)amine

Conditions
ConditionsYield
In water; toluene for 3h; Heating;94%
102-97-6

Benzyl-isopropyl-amin

6852-56-8

N-benzylideneisopropylamine

Conditions
ConditionsYield
With oxygen In para-xylene at 110℃; for 1.5h;94%
With 5,10,15,20-tetrakisphenylporphyrin; oxygen In ethyl acetate at 20℃; under 760.051 Torr; for 9h; Molecular sieve; Irradiation; regioselective reaction;92%
With 5,15,10,20-tetraphenylporphyrin In acetonitrile at 30℃; for 1h; Irradiation;80%

5-methyl-imidazo[5,1-b][1,3,4]thiadiazole-2-carboxylic acid hydrochloride

102-97-6

Benzyl-isopropyl-amin

5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxylic acid benzylisobutylamide

Conditions
ConditionsYield
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 2h;94%
29769-77-5

3-methoxy-4-methyl-3-cyclobutene-1,2-dione

102-97-6

Benzyl-isopropyl-amin

3-(benzyl(isopropyl)amino)-4-methylcyclobut-3-ene-1,2-dione

Conditions
ConditionsYield
In methanol at 20℃; for 4h;94%
102-97-6

Benzyl-isopropyl-amin

76-05-1

trifluoroacetic acid

N-benzyl-N-(2,2,2-trifluoroethyl)propan-2-amine

Conditions
ConditionsYield
With potassium phosphate; 18-crown-6 ether; phenylsilane In tetrahydrofuran at 80℃; for 4h; Glovebox; Molecular sieve; Schlenk technique;94%
102-97-6

Benzyl-isopropyl-amin

106-95-6

allyl bromide

247033-00-7

N-benzyl-N-isopropylallylamine

Conditions
ConditionsYield
With sodium hydroxide In N,N-dimethyl-formamide for 1h; Ambient temperature;93%
102-97-6

Benzyl-isopropyl-amin

107-18-6

allyl alcohol

247033-00-7

N-benzyl-N-isopropylallylamine

Conditions
ConditionsYield
With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6 In toluene; acetonitrile at 50℃; for 8h; Inert atmosphere;93%
334-56-5

1-fluorodecane

102-97-6

Benzyl-isopropyl-amin

N-benzyl-N-isopropyl-1-decylamine

Conditions
ConditionsYield
With tris(bis(trimethylsilyl)amido)lanthanum(III) In dichloromethane at 20℃; for 7h; Inert atmosphere; chemoselective reaction;93%
99440-99-0

2-hydroxycyclobutanone

102-97-6

Benzyl-isopropyl-amin

2-(benzyl(isopropyl)amino)cyclobutanone

Conditions
ConditionsYield
With dmap In toluene at 20℃; for 15h;93%
With dmap In 1,4-dioxane at 20℃; for 1h;
102-97-6

Benzyl-isopropyl-amin

530-62-1

1,1'-carbonyldiimidazole

55245-48-2

N-benzyl-N-isopropyl-1H-imidazole-1-carboxamide

Conditions
ConditionsYield
In tetrahydrofuran for 16h; Heating;92%

C15H13ClFN3O2

102-97-6

Benzyl-isopropyl-amin

4-(2-fluoro-phenyl)-2-morpholin-4-yl-pyrimidine-5-carboxylic acid benzyl-isopropyl-amide

Conditions
ConditionsYield
In toluene at 0 - 20℃; for 1.5h;92%
1046427-59-1

methyl (RS)-5-tris(phenylthio)methylcyclopent-1-enecarboxylate

102-97-6

Benzyl-isopropyl-amin

methyl (1RS,2SR,5SR)-2-(N-benzyl-N-isopropylamino)-5-tris(phenylthio)methylcyclopentanecarboxylate

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h;92%
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Specification

The Benzenemethanamine,N-(1-methylethyl)-, with the CAS registry number 102-97-6, is also known as N-Benzylisopropylamine. Its EINECS registry number is 203-067-6. This chemical's molecular formula is C10H15N and molecular weight is 149.23. What's more, both its IUPAC name and systematic name are the same which is called N-Benzylpropan-2-amine. It should be stored in a cool, dry and well-ventilated place. It is a chemical compound used as an intermediate in the pharmaceutical industry as a precursor to the manufacture of some drugs.

Physical properties about Benzenemethanamine,N-(1-methylethyl)- are: (1)ACD/LogP: 2.296; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): 0.00; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 48.621 cm3; (15)Molar Volume: 164.457 cm3; (16)Polarizability: 19.275×10-24cm3; (17)Surface Tension: 31.233 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 87.778 °C; (20)Enthalpy of Vaporization: 43.621 kJ/mol; (21)Boiling Point: 199.999 °C at 760 mmHg; (22)Vapour Pressure: 0.332 mmHg at 25 °C.

Preparation of Benzenemethanamine,N-(1-methylethyl)-: this chemical can be prepared by propan-2-one with benzylamine. This reaction needs reagent NaHTe and solvent ethanol at ambient temperature. The reaction time is 20 hours. The yield is 80 %.

Benzenemethanamine,N-(1-methylethyl)- can be prepared by propan-2-one with benzylamine.

Uses of Benzenemethanamine,N-(1-methylethyl)-: it is used to produce other chemicals. For example, it can react with acetic acid 2-cyano-1-methyl-allyl ester to get (E)-2-(N-benzyl-N-isopropylaminomethyl)but-2-enenitrile. The reaction needs with solvent tetrahydrofuran at ambient temperature. The reaction time is 24 hours. The yield is 78 %.

Benzenemethanamine,N-(1-methylethyl)- can react with acetic acid 2-cyano-1-methyl-allyl ester to get (E)-2-(N-benzyl-N-isopropylaminomethyl)but-2-enenitrile.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N(C(C)C)Cc1ccccc1
(2) InChI: InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
(3) InChIKey: LYBKPDDZTNUNNM-UHFFFAOYSA-N

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