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3-(Benzyloxy)propylamine

3-(Benzyloxy)propylamine structure

CAS No:
16728-64-6
Formula:
C10H15NO
Chemical Name:
3-(Benzyloxy)propylamine
Synonyms:
1-Propanamine,3-(phenylmethoxy)-;Propylamine,3-(benzyloxy)-;3-(Phenylmethoxy)-1-propanamine;3-(Benzyloxy)propylamine;3-Aminopropyl benzyl ether;3-(Benzyloxy)propan-1-amine
Categories:
Chemical Reagents > Organic Reagents

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3-(Benzyloxy)propylamine Basic Attributes

Molecular Weight：

165.24

Exact Mass：

165.23

DSSTox ID：

DTXSID70427866

HScode：

2922199090

Characteristics

PSA：

35.2

XLogP3：

Density：

0.999±0.06 g/cm3(Predicted)

Boiling Point：

103 °C @ Press: 2 Torr

Flash Point：

98.0±9.2 °C

Refractive Index：

1.521

3-(Benzyloxy)propylamine Use and Manufacturing

A 60percent sodium hydride dispersion in mineral oil (4 g, 0.1 mol) in a small portion at room temperature was added to a stirred solution of 3-amino-1-propanol (7.51 g, 0.1 mol) in THF (150 mL). The mixture was stirred for 30 min under nitrogen, and benzyl bromide (11.9 mL, 0.1 mol) was added. The mixture was stirred for 10 h at room temperature, and concentrated in vacuo. The residue was partitioned between 1 N aqueous HCI solution and CH2C12. The aqueous layer was adjusted to pH 10 with 10percent aqueous NaOH solution, and extracted with CH2C12 (3 x 100 mL). The extract was dried over MgS04 and concentrated in vacuo. The residue was purified by silica gel column chromatography using CH2Cl2/MeOH (3: 1 to 2: 1, v/v) to give 3- (benzyloxy)propylamine g, 8.3percent) as a yellow oil. 1, 3- Dicyclohexylcarbodiimide (14.4 mg, 0.07 mmol) in CH2C12 (2 mL) at 0°C was added dropwise to a mixture of 5 (32 mg, 0.07 mmol) and 3- (benzyloxy)propylamine mg, 0.07 mmol), and 1-hydroxybenzotriazole hydrate (9.5 mg, 0.07 mmol) in CH2C12 (5 mL). The reaction mixture was stirred for 18 h at room temperature and concentrated in vacuo. The residue was purified by silica gel column chromatography using CH2Cl2/MeOH (30:1, v/v) to afford 8 (36 mg, 85percent) as a pale yellow liquid.

Computed Properties

Molecular Weight:165.23
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:165.115364102
Monoisotopic Mass:165.115364102
Topological Polar Surface Area:35.2
Heavy Atom Count:12
Complexity:100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 16728-64-6

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16728-64-6 3-phenylmethoxypropan-1-amine

CAS No.: 16728-64-6

Grade: Industrial Grade

Content: 95%

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