3-(Benzyloxy)propan-1-amine

Base Information

• Chemical Name: 3-(Benzyloxy)propan-1-amine
• CAS No.: 16728-64-6
• Molecular Formula: C10H15 N O
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID70427866
• Nikkaji Number: J637.539A
• Wikidata: Q82240589
• Mol file: 16728-64-6.mol

Synonyms:3-(benzyloxy)propan-1-amine;16728-64-6;3-phenylmethoxypropan-1-amine;3-benzyloxypropylamine;1-PROPANAMINE, 3-(PHENYLMETHOXY)-;MFCD07339550;3-benzyloxypropyl amine;3-(benzyloxy)propylamine;3-Benzyloxypropan-1-amine;SCHEMBL2782;3-(benzyloxy)-1-propanamine;DTXSID70427866;QFHLJYPKYWISHS-UHFFFAOYSA-N;HMS1741J19;AKOS000201071;AB30616;CS-W019005;BS-13563;FT-0645907;EN300-14434;C73224;J-510815

Chemical Property of 3-(Benzyloxy)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.00876mmHg at 25°C
• Boiling Point: 266.2°Cat760mmHg
• PKA: 9.74±0.10(Predicted)
• Flash Point: 98°C
• PSA: 35.25000
• Density: g/cm³
• LogP: 2.25230
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

97% ^*data from raw suppliers

3-(Benzyloxy)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCCN

Technology Process of 3-(Benzyloxy)propan-1-amine

There total 13 articles about 3-(Benzyloxy)propan-1-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

((3-azidopropoxy)methyl)benzene (57294-87-8) → 3-benzyloxypropylamine (16728-64-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; chemoselective reaction;

DOI:10.1021/acscatal.6b01217

Reference yield: 66.0%

N-(3-Benzyloxypropyl)-2,2,2-trifluoroacetamide (185854-00-6) → 3-benzyloxypropylamine (16728-64-6)

Guidance literature:

With sodium hydroxide; In methanol; for 4h; Heating;

Reference yield: 8.3%

benzyl bromide (100-39-0) + propan-1-ol-3-amine (156-87-6) → 3-benzyloxypropylamine (16728-64-6)

Guidance literature:

propan-1-ol-3-amine; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

benzyl bromide; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1021/jm034265a

upstream raw materials:

3-benzyloxypropionitrile

benzyl chloride

propan-1-ol-3-amine

N-(3-Benzyloxypropyl)-2,2,2-trifluoroacetamide

Downstream raw materials:

N-(3-Benzyloxypropyl)-2,4-dihydroxy-3,3-dimethylbutyramid

(Z)-5-(2-Benzyloxy-ethylamino)-3-oxo-pent-4-enoic acid ethyl ester

N-(3-Benzyloxy-propyl)-3-[(7R,9S)-9-methyl-7-(2-methyl-[1,3]dioxolan-2-ylmethyl)-1,4-dioxa-spiro[4.5]dec-6-yl]-propionamide

(4aRS, 5SR, 8aSR, 10RS)-10-methyl-1-<3-(phenylmethoxy)propyl>-hexahydro-1H-5,8a-propanoquinolin-7(8H)-one