2,4-Dimethoxybenzylamine

HCID 597250
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Basic information

CAS
20781-20-8
Standard SMILES
COc1ccc(CN)c(OC)c1
InChIKey
QOWBXWFYRXSBAS-UHFFFAOYSA-N
Molecular formula
C9H13NO2
Average molar mass
167.2 g/mol
Monoisotopic mass
167.09462866

Names & identifiers

Preferred name
2,4-Dimethoxybenzylamine
IUPAC
(2,4-dimethoxyphenyl)methanamine
English name
2,4-Dimethoxybenzylamine
Molecular formula
C9H13NO2
Molecular weight
167.21

Names & synonyms

2,4-Dimethoxybenzylamine20781-20-8DTXSID30174869RefChem:443699DTXCID6097360672-586-1(2,4-Dimethoxyphenyl)methanamineBenzenemethanamine, 2,4-dimethoxy-2,4-dimethoxybenzyl amine1-(2,4-dimethoxyphenyl)methanamineMFCD000523932,4-Dimethoxy benzylamine
Show more names
DMBNH22,4-DimethyloxybenzylamineAURORA KA-7637RARECHEM AL BW 0153RARECHEM AL BW 03482,4-Dimethoxybenzyla2,4-Dimethoxybenzylamin2, 4-dimethoxybenzoylamine
EN300-34182(2,4-dimethoxyphenyl)methylamine2, 4-Dimethoxybenzylamine2,4-Dimethoxybenzenemethanamine2,4dimethoxybenzylamine2,4-dimethoxylbenzylamine2,4-dimethyoxybenzylamine2,4-dimethoxy-benzylamine

Database identifiers

CAS
20781-20-8
PubChem CID
597250
DTXSID
DTXSID30174869
EC Number
672-586-1
Nikkaji
J134.909K

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
95 °C0.2 · 95 °C0.2 mm Hg(lit.)
Density
1.113 g/mL · 1.113 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.549(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
rtecs
DP4430000
ridadr
UN 2735 8/PG 3
hs_code
29222990
risk_code
34

Chemistry & industry

Applications · 2 items

Uses2,4-Dimethoxybenzylamine is an amine nucleophile used to investigate the 1,4- reactivity of 5-bromo-2-indene-1-one. It may be used in the following studies: As an ammonia equivalent in the concise synthesis of a series of 2,4,5-trisubstituted oxazoles, via a tandem Ugi/Robinson-Gabriel reaction sequence.Total synthesis of (-)-muraymycin (MRY) D2 and its epimer, the antibacterial nucleoside natural product. Two-step synthesis of amide derivatives of uracil polyoxin C (UPOC) methyl ester using the Ugi reaction. Synthesis of N-hydroxythiourea.Synthesis of anti-HIV-1 agents.

General Description2,4-Dimethoxybenzylamine can be preprepared by reduction (NaBH4 , BF3.OEt2, THF) of 2,4-dimethoxybenzonitrile.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
怀化宝华生物科技有限公司0519-82698292 · [email protected]

Related reactions

362 records
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Compound notes

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