Home Cart 0 Sign in  

[ CAS No. 104566-41-8 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 104566-41-8
Chemical Structure| 104566-41-8
Structure of 104566-41-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 104566-41-8 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 104566-41-8 ]

SDS

Product Details of [ 104566-41-8 ]

CAS No. :104566-41-8MDL No. :MFCD15732122
Formula :C14H16ClNOBoiling Point :-
Linear Structure Formula :-InChI Key :OOQQYQQLMPJNJB-UHFFFAOYSA-N
M.W :249.74Pubchem ID :19744718
Synonyms :

Computed Properties of [ 104566-41-8 ]

TPSA : 35.2 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.14 Rotatable Bond Count : 4

Safety of [ 104566-41-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 104566-41-8 ]

  • Upstream synthesis route of [ 104566-41-8 ]
  • Downstream synthetic route of [ 104566-41-8 ]

[ 104566-41-8 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 104566-43-0 ]
  • [ 104566-41-8 ]
YieldReaction ConditionsOperation in experiment
79% With hydrogenchloride In dichloromethane at 20℃; for 1.00 h; To the compound (1.6 g, 7.6 mmol) obtained in step 204 2 was added 3 mol/L 206 hydrogen chloride(dichloromethane solution, 5 mL), and the mixture was stirred at room temperature for 1 hr, and concentratedunder reduced pressure to give the 207 title compound ( 1.5 g , 6.0 mmol, 79percent). MS(ESI) m/z 214 (M+H)+ 1H NMR (400 MHz, CD3OD): δ7.47-7.30 (m, 6H), 7.09 (s, 1H), 7.01-6.99 (m, 2H), 5.12 (s, 2H), 3.95 (s,2H) .
Reference: [1] Patent: US2016/332999, 2016, A1. Location in patent: Paragraph 0407; 0408; 0409
  • 2
  • [ 61147-43-1 ]
  • [ 104566-41-8 ]
Reference: [1] Patent: US2006/160800, 2006, A1. Location in patent: Page/Page column 71
  • 3
  • [ 60-29-7 ]
  • [ 1700-37-4 ]
  • [ 104566-41-8 ]
YieldReaction ConditionsOperation in experiment
40% With sodium borohydrid In ethanol; ammonia; water REFERENTIAL EXAMPLE 1
Production of 3-benzyloxybenzylamine hydrochloride
Three hundred milligrams of 3-benzyloxybenzaldehyde was dissolved in 15percent ammonia/ethanol, and the solution was stirred for 3 hours.
Then, 100 mg of sodium borohydride was added, and the mixture was stirred for 1 hour.
The reaction mixture was distilled under reduced pressure, and 20 ml of water and 20 ml of ethyl ether were added.
The organic layer was separated, washed with a saturated aqueous sodium chloride solution and dried over anhydrous sodium sulfate.
The desiccant was removed by filtration, and the solvent was evaporated.
The residue was recrystallized from a mixture of tetrahydrofuran and ethyl ether containing hydrogen chloride to give 140 mg (yield 40percent) of the captioned compound as colorless scales having a melting point of 155° to 159° C.
Reference: [1] Patent: US5234946, 1993, A
  • 4
  • [ 1700-37-4 ]
  • [ 593-56-6 ]
  • [ 104566-41-8 ]
Reference: [1] Patent: US5098900, 1992, A
Historical Records

Related Functional Groups of
[ 104566-41-8 ]

Aryls

Chemical Structure| 1171318-10-7

[ 1171318-10-7 ]

(2-(p-Tolyloxy)phenyl)methanamine hydrochloride

Similarity: 0.91

Chemical Structure| 50742-37-5

[ 50742-37-5 ]

(3-Phenoxyphenyl)methanamine

Similarity: 0.89

Chemical Structure| 6850-60-8

[ 6850-60-8 ]

(4-Ethoxyphenyl)methanamine

Similarity: 0.89

Chemical Structure| 107622-80-0

[ 107622-80-0 ]

(4-Phenoxyphenyl)methanamine

Similarity: 0.87

Chemical Structure| 31963-35-6

[ 31963-35-6 ]

1-(2-Phenoxyphenyl)methanamine hydrochloride

Similarity: 0.85

Amines

Chemical Structure| 1171318-10-7

[ 1171318-10-7 ]

(2-(p-Tolyloxy)phenyl)methanamine hydrochloride

Similarity: 0.91

Chemical Structure| 50742-37-5

[ 50742-37-5 ]

(3-Phenoxyphenyl)methanamine

Similarity: 0.89

Chemical Structure| 6850-60-8

[ 6850-60-8 ]

(4-Ethoxyphenyl)methanamine

Similarity: 0.89

Chemical Structure| 107622-80-0

[ 107622-80-0 ]

(4-Phenoxyphenyl)methanamine

Similarity: 0.87

Chemical Structure| 31963-35-6

[ 31963-35-6 ]

1-(2-Phenoxyphenyl)methanamine hydrochloride

Similarity: 0.85

Ethers

Chemical Structure| 1171318-10-7

[ 1171318-10-7 ]

(2-(p-Tolyloxy)phenyl)methanamine hydrochloride

Similarity: 0.91

Chemical Structure| 50742-37-5

[ 50742-37-5 ]

(3-Phenoxyphenyl)methanamine

Similarity: 0.89

Chemical Structure| 6850-60-8

[ 6850-60-8 ]

(4-Ethoxyphenyl)methanamine

Similarity: 0.89

Chemical Structure| 107622-80-0

[ 107622-80-0 ]

(4-Phenoxyphenyl)methanamine

Similarity: 0.87

Chemical Structure| 31963-35-6

[ 31963-35-6 ]

1-(2-Phenoxyphenyl)methanamine hydrochloride

Similarity: 0.85