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CC(C)C1=CC=C(C=C1)CBrChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(bromomethyl)-4-propan-2-ylbenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 73789-86-3 |
| Database ID | 47719 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(bromomethyl)-4-propan-2-ylbenzene (CAS 73789-86-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 47719
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-62c3e47768ae4157a96f7cfef21857f0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a5c5149db35c42ab8bbcdc3dc888642bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d9b87a17a39140188183d77e45cabcd0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a5c5149db35c42ab8bbcdc3dc888642bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d9b87a17a39140188183d77e45cabcd0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The procedure is as in Example 29 for the preparation of ethyl (4-methylbenzylthio)acetate, starting with 1-bromomethyl-4-isopropylbenzene (15 g), a 2M ethanolic solution of sodium ethylate (49 cc) and ethyl 2-mercaptoacetate (9.8 g) in ethanol (150 cc). Ethyl (4-isopropylbenzylthio)acetate (17.9 g) is thereby obtained, and is used in the crude state in the subsequent syntheses.
Source ID: ord-8fab29ac3da94763bba07874509706d5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The procedure is as in Example 29 for the preparation of ethyl (4-methylbenzylthio)acetate, starting with 1-bromomethyl-4-isopropylbenzene (15 g), a 2M ethanolic solution of sodium ethylate (49 cc) and ethyl 2-mercaptoacetate (9.8 g) in ethanol (150 cc). Ethyl (4-isopropylbenzylthio)acetate (17.9 g) is thereby obtained, and is used in the crude state in the subsequent syntheses.
Source ID: ord-8fab29ac3da94763bba07874509706d5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using 0.21 g of 4-isopropylbenzyl bromide, 3 ml of N,N-dimethylformamide, 0.05 g of sodium hydride (60% in oil), and 0.17 g of (3,3,3-trifluoropropyl)malononitrile, and according to the process described in the Production Example 26, there was obtained 0.24 g of 2-(4-isopropylbenzyl)-2-(3,3,3-trifluoropropyl)malononitrile (the present compound (35)).
Source ID: ord-6550b84f378d454888d2a814ca801951Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Using 0.21 g of 4-isopropylbenzyl bromide, 3 ml of N,N-dimethylformamide, 0.05 g of sodium hydride (60% in oil), and 0.17 g of (3,3,3-trifluoropropyl)malononitrile, and according to the process described in the Production Example 26, there was obtained 0.24 g of 2-(4-isopropylbenzyl)-2-(3,3,3-trifluoropropyl)malononitrile (the present compound (35)).
Source ID: ord-6550b84f378d454888d2a814ca801951Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The procedure is as in Example 29 for the preparation of ethyl (4-methylbenzylthio)acetate, starting with 1-bromomethyl-4-isopropylbenzene (15 g), a 2M ethanolic solution of sodium ethylate (49 cc) and ethyl 2-mercaptoacetate (9.8 g) in ethanol (150 cc). Ethyl (4-isopropylbenzylthio)acetate (17.9 g) is thereby obtained, and is used in the crude state in the subsequent syntheses.
Source ID: ord-167924ff349a43748a60649d422b4d13Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The procedure is as in Example 29 for the preparation of ethyl (4-methylbenzylthio)acetate, starting with 1-bromomethyl-4-isopropylbenzene (15 g), a 2M ethanolic solution of sodium ethylate (49 cc) and ethyl 2-mercaptoacetate (9.8 g) in ethanol (150 cc). Ethyl (4-isopropylbenzylthio)acetate (17.9 g) is thereby obtained, and is used in the crude state in the subsequent syntheses.
Source ID: ord-167924ff349a43748a60649d422b4d13Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The compound was synthesized starting from benzimidazol-5-amine (133 mg; 1 mmol; 1 eq.), 4-isopropylbenzylbromide (469 mg; 0.376 ml; 2.2 mmol; 2.2 eq.) and K2CO3 (304 mg; 2.2 mmol; 2.2 eq.) according to method 5; Yield: 0.147 g (36.9%); MS m/z: 398.4 [M+H]+; 1H-NMR (500 MHz, DMSO d6): δ 1.16 (d, 12H, 3J=7.0 Hz); 2.83 (hept, 2H, 3J=7.0 Hz); 4.62 (s, 4H); 6.69 (br s, 1H); 6.73 (dd, 1H, 4J=2.4 Hz, 3J=8.9 Hz); 7.16-7.20 (m, 8H); 7.32 (d, 1H, 3J=8.9 Hz); 7.89 (s, 1H); 11.90 (br s, 1H); HPLC (METHOD [A]): rt 19.95 min (94.4%) The compound was synthesized rt 19.95 min (94.4%)
Source ID: ord-d1a7beb543444b07bcb601cf4aa26218PubChem References
These sources are listed in the compound's public database record.
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