Cas no 84697-13-2 (4-(tert-butoxy)phenylmethanamine)

4-(tert-butoxy)phenylmethanamine structure
84697-13-2 structure
Product Name:4-(tert-butoxy)phenylmethanamine
CAS No:84697-13-2
MF:C11H17NO
MW:179.258783102036
MDL:MFCD06213869
CID:724049
PubChem ID:329819340
Update Time:2024-10-26

4-(tert-butoxy)phenylmethanamine Chemical and Physical Properties

Names and Identifiers

    • (4-(tert-Butoxy)phenyl)methanamine
    • (4-tert-butoxyphenyl)methanamine
    • [4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
    • 4-tert-Butoxy-benzylamine
    • Benzenemethanamine,4-(1,1-dimethylethoxy)-
    • 4-t-butoxybenzylamine
    • 4-tert-Butoxybenzylamine
    • 4-tert-butyloxybenzylamine
    • EINECS 283-723-6
    • 4-(1,1-Dimethylethoxy)benzenemethanamine (ACI)
    • AB23467
    • (4-tert-Butoxyphenyl)methanamine, AldrichCPR
    • [4-(tert-butoxy)phenyl]methanamine
    • SCHEMBL2369731
    • NS00038621
    • 84697-13-2
    • G37440
    • Benzenemethanamine, 4-(1,1-dimethylethoxy)-
    • AKOS008119111
    • MFCD06213869
    • HOKKUMFXFSCQHJ-UHFFFAOYSA-N
    • DB-076097
    • Z362795762
    • EN300-55516
    • DTXSID90233704
    • 4-(tert-butoxy)phenylmethanamine
    • MDL: MFCD06213869
    • Inchi: 1S/C11H17NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
    • InChI Key: HOKKUMFXFSCQHJ-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C1C=CC(CN)=CC=1

Computed Properties

  • Exact Mass: 179.13100
  • Monoisotopic Mass: 179.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 143
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.2A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 270.4±15.0 °C at 760 mmHg
  • Flash Point: 111.2±13.6 °C
  • Refractive Index: 1.515
  • PSA: 35.25000
  • LogP: 3.02290
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

4-(tert-butoxy)phenylmethanamine Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-41
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xn
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

4-(tert-butoxy)phenylmethanamine Customs Data

  • HS CODE:2922199090
  • Customs Data:

    China Customs Code:

    2922199090

    Overview:

    2922199090. Other amino alcohols and their ethers,Esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(tert-butoxy)phenylmethanamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R0185-1g
4-tert-Butoxy-benzylamine
84697-13-2 96%
1g
1509.52CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R0185-5g
4-tert-Butoxy-benzylamine
84697-13-2 96%
5g
5919.34CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R0185-25g
4-tert-Butoxy-benzylamine
84697-13-2 96%
25g
20717.68CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R0185-500mg
4-tert-Butoxy-benzylamine
84697-13-2 96%
500mg
1178.78CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R0185-250mg
4-tert-Butoxy-benzylamine
84697-13-2 96%
250mg
1009.17CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R0185-100mg
4-tert-Butoxy-benzylamine
84697-13-2 96%
100mg
831.08CNY 2021-05-08
TRC
B427858-50mg
[4-(tert-butoxy)phenyl]methanamine
84697-13-2
50mg
$ 70.00 2022-06-07
TRC
B427858-100mg
[4-(tert-butoxy)phenyl]methanamine
84697-13-2
100mg
$ 95.00 2022-06-07
TRC
B427858-500mg
[4-(tert-butoxy)phenyl]methanamine
84697-13-2
500mg
$ 340.00 2022-06-07
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
T137064-1g
(4-tert-butoxyphenyl)methanamine
84697-13-2
1g
¥671.00 2021-05-25

4-(tert-butoxy)phenylmethanamine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether ,  Tetrahydrofuran ;  3 h, reflux; reflux → rt
1.2 Reagents: Water ;  rt
Reference
Convenient two-step synthesis of highly functionalized benzo-fused 1,4-diazepin-3-ones and 1,5-diazocin-4-ones by sequential Ugi and intramolecular SNAr reactions
Vezina-Dawod, Simon; Gerber, Nicolas; Liang, Xinxia; Biron, Eric, Tetrahedron, 2017, 73(44), 6347-6355

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether
Reference
Acylguanidines as bioisosteric groups in argininamide-type neuropeptide Y Y1 and Y2 receptor antagonists: synthesis, stability and pharmacological activity
Brennauer, Albert, 2006, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether ;  3 h, rt; 60 min, reflux; reflux → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  0 °C
1.3 Reagents: Potassium bisulfate Solvents: Water ;  pH 2 - 3
Reference
Guanidine-Acylguanidine Bioisosteric Approach in the Design of Radioligands: Synthesis of a Tritium-Labeled NG-Propionylargininamide ([3H]-UR-MK114) as a Highly Potent and Selective Neuropeptide Y Y1 Receptor Antagonist
Keller, Max; Pop, Nathalie; Hutzler, Christoph; Beck-Sickinger, Annette G.; Bernhardt, Guenther; et al, Journal of Medicinal Chemistry, 2008, 51(24), 8168-8172

Production Method 4

Reaction Conditions
1.1 Reagents: Zinc
Reference
Protection of phenols as t-butyl ethers under mild conditions
Bandgar, B. P.; Kasture, S. P., Journal of Chemical Research, 2000, (5), 252-253

Production Method 5

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 10 min, 0 °C; 0 °C → rt; 10 min, rt; 3 h, rt → reflux; reflux → 0 °C
1.2 Reagents: Sodium hydroxide ,  Water
Reference
Ammonium Chloride-Promoted Rapid Synthesis of Monosubstituted Ureas under Microwave Irradiation
Lan, Chunling Blue; Auclair, Karine, European Journal of Organic Chemistry, 2021, 2021(37), 5135-5146

Production Method 6

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  30 min, 0 °C; 6 h, 0 °C → reflux; 22 h, reflux → rt; rt → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  0 °C
Reference
Discovery of inhibitors for proliferating cell nuclear antigen using a computational-based linked-multiple-fragment screen
Bartolowits, Matthew D.; Gast, Jonathon M.; Hasler, Ashlee J.; Cirrincione, Anthony M.; O'Connor, Rachel J.; et al, ACS Omega, 2019, 4(12), 15181-15196

Production Method 7

Reaction Conditions
Reference
Product class 2: alkyl aryl ethers - synthesis by substitution
Low, C. M. R., Science of Synthesis, 2007, 31, 547-625

4-(tert-butoxy)phenylmethanamine Raw materials

4-(tert-butoxy)phenylmethanamine Preparation Products

Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.